(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine

C21H23NO — CID 40900150

IUPAC(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
SMILESc1ccc(C[C@H](CCNCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H23NO/c1-3-8-18(9-4-1)16-20(19-10-5-2-6-11-19)13-14-22-17-21-12-7-15-23-21/h1-12,15,20,22H,13-14,16-17H2/t20-/m0/s1
InChIKeyPJSOPOCDCSDNCY-FQEVSTJZSA-N
MW305.42 g/mol
LogP4.79
Rot. Bonds8

About (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine

(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine (PubChem CID 40900150) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
PubChem CID40900150
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
SMILESc1ccc(C[C@H](CCNCc2ccco2)c2ccccc2)cc1
InChIInChI=1S/C21H23NO/c1-3-8-18(9-4-1)16-20(19-10-5-2-6-11-19)13-14-22-17-21-12-7-15-23-21/h1-12,15,20,22H,13-14,16-17H2/t20-/m0/s1
InChIKeyPJSOPOCDCSDNCY-FQEVSTJZSA-N
XLogP4.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine 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

(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
N-ethyl-3-(furan-2-yl)-4-phenylbutan-1-amine
CID 5149078
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
2-[5-(4-methylphenyl)-6-phenylhexyl]furan
CID 156599733
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N'-(furan-2-ylmethyl)-2-methylbutane-1,4-diamine
CID 79001737
5-(furan-2-yl)-4-phenylpentan-1-amine
CID 140971933
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796
6-(furan-2-ylmethylamino)-4-methylhexanoic acid
CID 65290191
N-(furan-2-ylmethyl)-2-naphthalen-2-ylethanamine
CID 54884386

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine (CID 40900150) is (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine is c1ccc(C[C@H](CCNCc2ccco2)c2ccccc2)cc1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine?
The InChIKey is PJSOPOCDCSDNCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23NO/c1-3-8-18(9-4-1)16-20(19-10-5-2-6-11-19)13-14-22-17-21-12-7-15-23-21/h1-12,15,20,22H,13-14,16-17H2/t20-/m0/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine?
(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine has a molecular weight of 305.42 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine is sourced from PubChem (CID 40900150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).