4-[(cyclohexylamino)methyl]-N-phenylaniline

C19H24N2 — CID 69114747

IUPAC4-[(cyclohexylamino)methyl]-N-phenylaniline
SMILESc1ccc(Nc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h2,5-6,9-14,17,20-21H,1,3-4,7-8,15H2
InChIKeyBAJYLGQOPMQTQU-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.85
Rot. Bonds5

About 4-[(cyclohexylamino)methyl]-N-phenylaniline

4-[(cyclohexylamino)methyl]-N-phenylaniline (PubChem CID 69114747) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-N-phenylaniline
PubChem CID69114747
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name4-[(cyclohexylamino)methyl]-N-phenylaniline
SMILESc1ccc(Nc2ccc(CNC3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h2,5-6,9-14,17,20-21H,1,3-4,7-8,15H2
InChIKeyBAJYLGQOPMQTQU-UHFFFAOYSA-N
XLogP4.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;N-benzylcyclohexanamine
CID 142622843
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CID 106913373
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CID 54797686
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
4-[(cyclopentylamino)methyl]phenol
CID 3873791
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-pyrrol-1-ylphenyl)methyl]cycloheptanamine
CID 10754404
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-N-phenylaniline?
The IUPAC name of 4-[(cyclohexylamino)methyl]-N-phenylaniline (CID 69114747) is 4-[(cyclohexylamino)methyl]-N-phenylaniline.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-N-phenylaniline?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-N-phenylaniline is c1ccc(Nc2ccc(CNC3CCCCC3)cc2)cc1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-N-phenylaniline?
The InChIKey is BAJYLGQOPMQTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-7-17(8-4-1)20-15-16-11-13-19(14-12-16)21-18-9-5-2-6-10-18/h2,5-6,9-14,17,20-21H,1,3-4,7-8,15H2.
What are the key properties of 4-[(cyclohexylamino)methyl]-N-phenylaniline?
4-[(cyclohexylamino)methyl]-N-phenylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-N-phenylaniline is sourced from PubChem (CID 69114747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).