2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline

C21H28N2 — CID 143075076

IUPAC2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C21H28N2/c1-17-12-14-19(15-13-17)22-21-11-7-6-8-18(21)16-23(2)20-9-4-3-5-10-20/h6-8,11-15,20,22H,3-5,9-10,16H2,1-2H3
InChIKeyUHZPIHUAOULNDU-UHFFFAOYSA-N
MW308.47 g/mol
LogP5.50
Rot. Bonds5

About 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline

2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline (PubChem CID 143075076) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline
PubChem CID143075076
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(Nc2ccccc2CN(C)C2CCCCC2)cc1
InChIInChI=1S/C21H28N2/c1-17-12-14-19(15-13-17)22-21-11-7-6-8-18(21)16-23(2)20-9-4-3-5-10-20/h6-8,11-15,20,22H,3-5,9-10,16H2,1-2H3
InChIKeyUHZPIHUAOULNDU-UHFFFAOYSA-N
XLogP5.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-methylanilino)phenyl]methyl]cyclohexan-1-one
CID 141482658
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 18146366
cis-(1S,2R)-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 166254818
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432249
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-N-(cyclopropylmethyl)acetamide
CID 78842111
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 51307622
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline (CID 143075076) is 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline is Cc1ccc(Nc2ccccc2CN(C)C2CCCCC2)cc1.
What is the InChIKey of 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline?
The InChIKey is UHZPIHUAOULNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-17-12-14-19(15-13-17)22-21-11-7-6-8-18(21)16-23(2)20-9-4-3-5-10-20/h6-8,11-15,20,22H,3-5,9-10,16H2,1-2H3.
What are the key properties of 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline?
2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline has a molecular weight of 308.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)amino]methyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 143075076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).