1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine

C12H14ClNO — CID 65441138

IUPAC1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(Cl)cc(C)c2o1
InChIInChI=1S/C12H14ClNO/c1-3-10(14)11-6-8-5-9(13)4-7(2)12(8)15-11/h4-6,10H,3,14H2,1-2H3
InChIKeyFQMKZWZQLAZYRY-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.80
Rot. Bonds2

About 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine

1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine (PubChem CID 65441138) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
PubChem CID65441138
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
SMILESCCC(N)c1cc2cc(Cl)cc(C)c2o1
InChIInChI=1S/C12H14ClNO/c1-3-10(14)11-6-8-5-9(13)4-7(2)12(8)15-11/h4-6,10H,3,14H2,1-2H3
InChIKeyFQMKZWZQLAZYRY-UHFFFAOYSA-N
XLogP3.80
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-7-methyl-1-benzofuran-2-yl)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-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697
N-[(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]ethanamine
CID 65438893
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 65439262
(1S)-1-(5-chlorofuran-2-yl)propan-1-amine
CID 131197963
(1R)-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 55275935
(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
CID 43149767
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(1R)-1-(4-chloro-2-methylphenyl)propan-1-amine;hydrochloride
CID 171211834
1-(5-tert-butyl-7-methyl-1-benzofuran-2-yl)propan-1-ol
CID 65441075
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine?
The IUPAC name of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine (CID 65441138) is 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine is CCC(N)c1cc2cc(Cl)cc(C)c2o1.
What is the InChIKey of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine?
The InChIKey is FQMKZWZQLAZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-3-10(14)11-6-8-5-9(13)4-7(2)12(8)15-11/h4-6,10H,3,14H2,1-2H3.
What are the key properties of 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine?
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine has a molecular weight of 223.70 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine is sourced from PubChem (CID 65441138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).