1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine

C14H16ClNO — CID 63000908

IUPAC1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyHLERRMWMGPVNNK-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.17
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine

1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine (PubChem CID 63000908) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
PubChem CID63000908
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-8,10,14,16H,2,9H2,1H3
InChIKeyHLERRMWMGPVNNK-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-N-(furan-3-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

1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
N-(furan-3-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 63001796
N-[(5-bromofuran-2-yl)methyl]-1-(4-chlorophenyl)propan-1-amine
CID 43688626
N-(furan-3-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115641842
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 63000910
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
1-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 43234886
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-(4-chlorophenyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 103777663
3-[[1-(4-chlorophenyl)propylamino]methyl]benzene-1,2-diol
CID 61318879

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine (CID 63000908) is 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine is CCC(NCc1ccoc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine?
The InChIKey is HLERRMWMGPVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-2-14(12-3-5-13(15)6-4-12)16-9-11-7-8-17-10-11/h3-8,10,14,16H,2,9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine?
1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(furan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 63000908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).