(1R)-1-(3-phenylphenyl)butane-1,4-diamine

C16H20N2 — CID 171214569

IUPAC(1R)-1-(3-phenylphenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H20N2/c17-11-5-10-16(18)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11,17-18H2/t16-/m1/s1
InChIKeySBIKOMRNAWXKKE-MRXNPFEDSA-N
MW240.35 g/mol
LogP3.09
Rot. Bonds5

About (1R)-1-(3-phenylphenyl)butane-1,4-diamine

(1R)-1-(3-phenylphenyl)butane-1,4-diamine (PubChem CID 171214569) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R)-1-(3-phenylphenyl)butane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-(3-phenylphenyl)butane-1,4-diamine
PubChem CID171214569
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(1R)-1-(3-phenylphenyl)butane-1,4-diamine
SMILESNCCC[C@@H](N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H20N2/c17-11-5-10-16(18)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11,17-18H2/t16-/m1/s1
InChIKeySBIKOMRNAWXKKE-MRXNPFEDSA-N
XLogP3.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-phenylphenyl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-phenylphenyl)pentan-1-amine;hydrochloride
CID 171214579
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
2-amino-2-(3-phenylphenyl)ethanol
CID 77130058
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(4-phenylphenyl)propane-1,3-diamine
CID 171208417
(1R)-3,3,3-trifluoro-1-(3-phenylphenyl)propan-1-amine;hydrochloride
CID 171214587
(1S)-1-(3-phenylmethoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171230857
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-phenylphenyl)butane-1,4-diamine?
The IUPAC name of (1R)-1-(3-phenylphenyl)butane-1,4-diamine (CID 171214569) is (1R)-1-(3-phenylphenyl)butane-1,4-diamine.
What is the SMILES notation for (1R)-1-(3-phenylphenyl)butane-1,4-diamine?
The canonical SMILES for (1R)-1-(3-phenylphenyl)butane-1,4-diamine is NCCC[C@@H](N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (1R)-1-(3-phenylphenyl)butane-1,4-diamine?
The InChIKey is SBIKOMRNAWXKKE-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2/c17-11-5-10-16(18)15-9-4-8-14(12-15)13-6-2-1-3-7-13/h1-4,6-9,12,16H,5,10-11,17-18H2/t16-/m1/s1.
What are the key properties of (1R)-1-(3-phenylphenyl)butane-1,4-diamine?
(1R)-1-(3-phenylphenyl)butane-1,4-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-phenylphenyl)butane-1,4-diamine is sourced from PubChem (CID 171214569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).