N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline

C94H113ClN4 — CID 160662467

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C(C)C)cc2C2CCCCC2)cc1Cl.Cc1ccc(CNc2ccc(C)cc2C2CCCCC2)cc1.Cc1ccc(NCc2ccc(-c3ccccc3)cc2)c(C2CCCCC2)c1.Cc1ccc(NCc2ccc3ccccc3c2)c(C2CCCCC2)c1
InChIInChI=1S/C26H29N.C24H27N.C23H30ClN.C21H27N/c1-20-12-17-26(25(18-20)24-10-6-3-7-11-24)27-19-21-13-15-23(16-14-21)22-8-4-2-5-9-22;1-18-11-14-24(23(15-18)21-8-3-2-4-9-21)25-17-19-12-13-20-7-5-6-10-22(20)16-19;1-16(2)20-11-12-23(21(14-20)19-7-5-4-6-8-19)25-15-18-10-9-17(3)22(24)13-18;1-16-8-11-18(12-9-16)15-22-21-13-10-17(2)14-20(21)19-6-4-3-5-7-19/h2,4-5,8-9,12-18,24,27H,3,6-7,10-11,19H2,1H3;5-7,10-16,21,25H,2-4,8-9,17H2,1H3;9-14,16,19,25H,4-8,15H2,1-3H3;8-14,19,22H,3-7,15H2,1-2H3
InChIKeyRLVZHOJABVAENP-UHFFFAOYSA-N
MW1334.42 g/mol
LogP27.52
Rot. Bonds18

About N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline

N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline (PubChem CID 160662467) has the molecular formula C94H113ClN4 and a molecular weight of 1334.42 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline
PubChem CID160662467
Molecular FormulaC94H113ClN4
Molecular Weight1334.42 g/mol
Exact Mass1332.87
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline
SMILESCc1ccc(CNc2ccc(C(C)C)cc2C2CCCCC2)cc1Cl.Cc1ccc(CNc2ccc(C)cc2C2CCCCC2)cc1.Cc1ccc(NCc2ccc(-c3ccccc3)cc2)c(C2CCCCC2)c1.Cc1ccc(NCc2ccc3ccccc3c2)c(C2CCCCC2)c1
InChIInChI=1S/C26H29N.C24H27N.C23H30ClN.C21H27N/c1-20-12-17-26(25(18-20)24-10-6-3-7-11-24)27-19-21-13-15-23(16-14-21)22-8-4-2-5-9-22;1-18-11-14-24(23(15-18)21-8-3-2-4-9-21)25-17-19-12-13-20-7-5-6-10-22(20)16-19;1-16(2)20-11-12-23(21(14-20)19-7-5-4-6-8-19)25-15-18-10-9-17(3)22(24)13-18;1-16-8-11-18(12-9-16)15-22-21-13-10-17(2)14-20(21)19-6-4-3-5-7-19/h2,4-5,8-9,12-18,24,27H,3,6-7,10-11,19H2,1H3;5-7,10-16,21,25H,2-4,8-9,17H2,1H3;9-14,16,19,25H,4-8,15H2,1-3H3;8-14,19,22H,3-7,15H2,1-2H3
InChIKeyRLVZHOJABVAENP-UHFFFAOYSA-N
XLogP27.52
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.42
LogP ≤ 527.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline (CID 160662467) is N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline is Cc1ccc(CNc2ccc(C(C)C)cc2C2CCCCC2)cc1Cl.Cc1ccc(CNc2ccc(C)cc2C2CCCCC2)cc1.Cc1ccc(NCc2ccc(-c3ccccc3)cc2)c(C2CCCCC2)c1.Cc1ccc(NCc2ccc3ccccc3c2)c(C2CCCCC2)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline?
The InChIKey is RLVZHOJABVAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N.C24H27N.C23H30ClN.C21H27N/c1-20-12-17-26(25(18-20)24-10-6-3-7-11-24)27-19-21-13-15-23(16-14-21)22-8-4-2-5-9-22;1-18-11-14-24(23(15-18)21-8-3-2-4-9-21)25-17-19-12-13-20-7-5-6-10-22(20)16-19;1-16(2)20-11-12-23(21(14-20)19-7-5-4-6-8-19)25-15-18-10-9-17(3)22(24)13-18;1-16-8-11-18(12-9-16)15-22-21-13-10-17(2)14-20(21)19-6-4-3-5-7-19/h2,4-5,8-9,12-18,24,27H,3,6-7,10-11,19H2,1H3;5-7,10-16,21,25H,2-4,8-9,17H2,1H3;9-14,16,19,25H,4-8,15H2,1-3H3;8-14,19,22H,3-7,15H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline?
N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline has a molecular weight of 1334.42 g/mol, XLogP of 27.52, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-cyclohexyl-4-propan-2-ylaniline;2-cyclohexyl-4-methyl-N-[(4-methylphenyl)methyl]aniline;2-cyclohexyl-4-methyl-N-(naphthalen-2-ylmethyl)aniline;2-cyclohexyl-4-methyl-N-[(4-phenylphenyl)methyl]aniline is sourced from PubChem (CID 160662467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).