4-[(1R)-1-aminohexyl]-N-benzylaniline

C19H26N2 — CID 171201539

IUPAC4-[(1R)-1-aminohexyl]-N-benzylaniline
SMILESCCCCC[C@@H](N)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16/h4,6-9,11-14,19,21H,2-3,5,10,15,20H2,1H3/t19-/m1/s1
InChIKeyKWAJORQRLAWIRO-LJQANCHMSA-N
MW282.43 g/mol
LogP4.88
Rot. Bonds8

About 4-[(1R)-1-aminohexyl]-N-benzylaniline

4-[(1R)-1-aminohexyl]-N-benzylaniline (PubChem CID 171201539) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[(1R)-1-aminohexyl]-N-benzylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminohexyl]-N-benzylaniline
PubChem CID171201539
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-[(1R)-1-aminohexyl]-N-benzylaniline
SMILESCCCCC[C@@H](N)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C19H26N2/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16/h4,6-9,11-14,19,21H,2-3,5,10,15,20H2,1H3/t19-/m1/s1
InChIKeyKWAJORQRLAWIRO-LJQANCHMSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
CID 171221087
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenyldecan-1-amine
CID 43175860
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
4-[(1S)-1-aminopent-4-enyl]-N-benzylaniline;hydrochloride
CID 171221102
chloromethane;1-phenyltridecan-1-amine
CID 175245788
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574
(1R)-1-(4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171211172
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
(1S)-1-(4-tert-butylphenyl)hexan-1-amine
CID 28979853

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminohexyl]-N-benzylaniline?
The IUPAC name of 4-[(1R)-1-aminohexyl]-N-benzylaniline (CID 171201539) is 4-[(1R)-1-aminohexyl]-N-benzylaniline.
What is the SMILES notation for 4-[(1R)-1-aminohexyl]-N-benzylaniline?
The canonical SMILES for 4-[(1R)-1-aminohexyl]-N-benzylaniline is CCCCC[C@@H](N)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 4-[(1R)-1-aminohexyl]-N-benzylaniline?
The InChIKey is KWAJORQRLAWIRO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-3-5-10-19(20)17-11-13-18(14-12-17)21-15-16-8-6-4-7-9-16/h4,6-9,11-14,19,21H,2-3,5,10,15,20H2,1H3/t19-/m1/s1.
What are the key properties of 4-[(1R)-1-aminohexyl]-N-benzylaniline?
4-[(1R)-1-aminohexyl]-N-benzylaniline has a molecular weight of 282.43 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminohexyl]-N-benzylaniline is sourced from PubChem (CID 171201539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).