N-benzyl-N-cyclohexyl-3-methylaniline

C20H25N — CID 21396776

IUPACN-benzyl-N-cyclohexyl-3-methylaniline
SMILESCc1cccc(N(Cc2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C20H25N/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3
InChIKeyPODBSZSFRSRCJP-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.33
Rot. Bonds4

About N-benzyl-N-cyclohexyl-3-methylaniline

N-benzyl-N-cyclohexyl-3-methylaniline (PubChem CID 21396776) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-3-methylaniline.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-3-methylaniline
PubChem CID21396776
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-benzyl-N-cyclohexyl-3-methylaniline
SMILESCc1cccc(N(Cc2ccccc2)C2CCCCC2)c1
InChIInChI=1S/C20H25N/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3
InChIKeyPODBSZSFRSRCJP-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
trans-(1R,2R)-1-N,1-N,2-N-tribenzyl-2-N-[(3-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 102466161
N-[(3-methylphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71634575
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
methyl 4-[(N-cyclohexylanilino)methyl]benzoate
CID 174449163
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
3-bromo-N-cyclohexyl-N-ethylaniline
CID 146003901
N-benzyl-N-bromocyclohexanamine
CID 140997611
1-benzyl-1-cyclohexylhydrazine;hydrochloride
CID 3028713
N-benzyl-N-(trifluoromethyl)cyclohexanamine
CID 175316581

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-3-methylaniline?
The IUPAC name of N-benzyl-N-cyclohexyl-3-methylaniline (CID 21396776) is N-benzyl-N-cyclohexyl-3-methylaniline.
What is the SMILES notation for N-benzyl-N-cyclohexyl-3-methylaniline?
The canonical SMILES for N-benzyl-N-cyclohexyl-3-methylaniline is Cc1cccc(N(Cc2ccccc2)C2CCCCC2)c1.
What is the InChIKey of N-benzyl-N-cyclohexyl-3-methylaniline?
The InChIKey is PODBSZSFRSRCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-17-9-8-14-20(15-17)21(19-12-6-3-7-13-19)16-18-10-4-2-5-11-18/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-3-methylaniline?
N-benzyl-N-cyclohexyl-3-methylaniline has a molecular weight of 279.43 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-3-methylaniline is sourced from PubChem (CID 21396776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).