N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline

C26H29NO — CID 90023157

IUPACN-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
SMILESc1ccc(COc2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C26H29NO/c1-3-7-22(8-4-1)20-28-26-17-15-25(16-18-26)27-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23,27H,2,5-6,9-10,19-20H2
InChIKeyYUJYPAOIYRFGMQ-UHFFFAOYSA-N
MW371.52 g/mol
LogP6.93
Rot. Bonds7

About N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline

N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline (PubChem CID 90023157) has the molecular formula C26H29NO and a molecular weight of 371.52 g/mol. Its IUPAC name is N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
PubChem CID90023157
Molecular FormulaC26H29NO
Molecular Weight371.52 g/mol
Exact Mass371.22
IUPAC NameN-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
SMILESc1ccc(COc2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cc1
InChIInChI=1S/C26H29NO/c1-3-7-22(8-4-1)20-28-26-17-15-25(16-18-26)27-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23,27H,2,5-6,9-10,19-20H2
InChIKeyYUJYPAOIYRFGMQ-UHFFFAOYSA-N
XLogP6.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
2-(4-cyclohexylphenoxy)-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 21084282
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
4-(2-cyclohexylethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802002
N-[[4-(2-methoxyethyl)phenyl]methyl]-4-phenylmethoxyaniline
CID 118960656
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117217
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline?
The IUPAC name of N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline (CID 90023157) is N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline is c1ccc(COc2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cc1.
What is the InChIKey of N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline?
The InChIKey is YUJYPAOIYRFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO/c1-3-7-22(8-4-1)20-28-26-17-15-25(16-18-26)27-19-21-11-13-24(14-12-21)23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23,27H,2,5-6,9-10,19-20H2.
What are the key properties of N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline?
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline has a molecular weight of 371.52 g/mol, XLogP of 6.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline is sourced from PubChem (CID 90023157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).