4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride

C17H23ClN2 — CID 171201534

IUPAC4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
SMILESCCC[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C17H22N2.ClH/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14;/h3-5,7-12,17,19H,2,6,13,18H2,1H3;1H/t17-;/m1./s1
InChIKeyQQZJXKZLALNQRG-UNTBIKODSA-N
MW290.84 g/mol
LogP4.52
Rot. Bonds6

About 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride

4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride (PubChem CID 171201534) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
PubChem CID171201534
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
SMILESCCC[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C17H22N2.ClH/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14;/h3-5,7-12,17,19H,2,6,13,18H2,1H3;1H/t17-;/m1./s1
InChIKeyQQZJXKZLALNQRG-UNTBIKODSA-N
XLogP4.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-aminohexyl]-N-benzylaniline
CID 171201539
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
CID 171221087
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
4-[(1S)-1-aminopent-4-enyl]-N-benzylaniline;hydrochloride
CID 171221102
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574
(1R,2S)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171261462
(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171267147
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
1-(4-phenylphenyl)butan-1-amine
CID 43197430
4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
CID 171221091
N-benzyl-4-[(1S)-1-piperazin-1-ylbutyl]aniline
CID 171275088
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride?
The IUPAC name of 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride (CID 171201534) is 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride?
The canonical SMILES for 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride is CCC[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl.
What is the InChIKey of 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride?
The InChIKey is QQZJXKZLALNQRG-UNTBIKODSA-N. The full InChI is InChI=1S/C17H22N2.ClH/c1-2-6-17(18)15-9-11-16(12-10-15)19-13-14-7-4-3-5-8-14;/h3-5,7-12,17,19H,2,6,13,18H2,1H3;1H/t17-;/m1./s1.
What are the key properties of 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride?
4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride is sourced from PubChem (CID 171201534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).