(1R)-1,4-diphenylbutan-1-amine

C16H19N — CID 7131342

IUPAC(1R)-1,4-diphenylbutan-1-amine
SMILESN[C@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13,17H2/t16-/m1/s1
InChIKeyNHFFVYVFZANMOU-MRXNPFEDSA-N
MW225.34 g/mol
LogP3.71
Rot. Bonds5

About (1R)-1,4-diphenylbutan-1-amine

(1R)-1,4-diphenylbutan-1-amine (PubChem CID 7131342) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1R)-1,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1,4-diphenylbutan-1-amine
PubChem CID7131342
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1R)-1,4-diphenylbutan-1-amine
SMILESN[C@H](CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13,17H2/t16-/m1/s1
InChIKeyNHFFVYVFZANMOU-MRXNPFEDSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
1-naphthalen-2-yl-4-phenylbutan-1-amine
CID 63416758
3-(1-amino-4-phenylbutyl)-N,N-dimethylaniline
CID 105139782
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
N'-benzyl-1-phenylbutane-1,4-diamine
CID 55204537
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
4-phenyl-1-quinolin-7-ylbutan-1-amine
CID 105172595
7-phenylheptane-1,4-diamine
CID 174860311
(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101

Frequently Asked Questions

What is the IUPAC name of (1R)-1,4-diphenylbutan-1-amine?
The IUPAC name of (1R)-1,4-diphenylbutan-1-amine (CID 7131342) is (1R)-1,4-diphenylbutan-1-amine.
What is the SMILES notation for (1R)-1,4-diphenylbutan-1-amine?
The canonical SMILES for (1R)-1,4-diphenylbutan-1-amine is N[C@H](CCCc1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-1,4-diphenylbutan-1-amine?
The InChIKey is NHFFVYVFZANMOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12,16H,7,10,13,17H2/t16-/m1/s1.
What are the key properties of (1R)-1,4-diphenylbutan-1-amine?
(1R)-1,4-diphenylbutan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,4-diphenylbutan-1-amine is sourced from PubChem (CID 7131342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).