(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine

C19H21NOS — CID 2022429

IUPAC(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1ccc([C@@H](CCNCc2cccs2)c2ccco2)cc1
InChIInChI=1S/C19H21NOS/c1-15-6-8-16(9-7-15)18(19-5-2-12-21-19)10-11-20-14-17-4-3-13-22-17/h2-9,12-13,18,20H,10-11,14H2,1H3/t18-/m1/s1
InChIKeyPCZSWDXDFJLGND-GOSISDBHSA-N
MW311.45 g/mol
LogP4.96
Rot. Bonds7

About (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine

(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 2022429) has the molecular formula C19H21NOS and a molecular weight of 311.45 g/mol. Its IUPAC name is (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID2022429
Molecular FormulaC19H21NOS
Molecular Weight311.45 g/mol
Exact Mass311.13
IUPAC Name(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCc1ccc([C@@H](CCNCc2cccs2)c2ccco2)cc1
InChIInChI=1S/C19H21NOS/c1-15-6-8-16(9-7-15)18(19-5-2-12-21-19)10-11-20-14-17-4-3-13-22-17/h2-9,12-13,18,20H,10-11,14H2,1H3/t18-/m1/s1
InChIKeyPCZSWDXDFJLGND-GOSISDBHSA-N
XLogP4.96
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-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)-3-(furan-2-yl)-3-(4-methylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 948883
3-(furan-2-yl)-3-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 3366871
[(3S)-3-(furan-2-yl)-3-(4-methylphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7411959
(3S)-N-[2-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 156579514
N-[1-(4-chlorophenyl)ethyl]-3-(furan-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 2928642
(2R)-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 96500236
N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 3838226
3-[[[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]amino]methyl]-7-methyl-1H-quinolin-2-one
CID 131949176
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
3-(4-fluorophenyl)-3-(furan-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 131894709
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 2022429) is (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine is Cc1ccc([C@@H](CCNCc2cccs2)c2ccco2)cc1.
What is the InChIKey of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is PCZSWDXDFJLGND-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NOS/c1-15-6-8-16(9-7-15)18(19-5-2-12-21-19)10-11-20-14-17-4-3-13-22-17/h2-9,12-13,18,20H,10-11,14H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
(3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 311.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(furan-2-yl)-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 2022429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).