3-(2-chloro-1-benzofuran-6-yl)propan-1-amine

C11H12ClNO — CID 83884744

IUPAC3-(2-chloro-1-benzofuran-6-yl)propan-1-amine
SMILESNCCCc1ccc2cc(Cl)oc2c1
InChIInChI=1S/C11H12ClNO/c12-11-7-9-4-3-8(2-1-5-13)6-10(9)14-11/h3-4,6-7H,1-2,5,13H2
InChIKeyOJNNSVNQALKKKR-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.98
Rot. Bonds3

About 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine

3-(2-chloro-1-benzofuran-6-yl)propan-1-amine (PubChem CID 83884744) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-1-benzofuran-6-yl)propan-1-amine
PubChem CID83884744
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name3-(2-chloro-1-benzofuran-6-yl)propan-1-amine
SMILESNCCCc1ccc2cc(Cl)oc2c1
InChIInChI=1S/C11H12ClNO/c12-11-7-9-4-3-8(2-1-5-13)6-10(9)14-11/h3-4,6-7H,1-2,5,13H2
InChIKeyOJNNSVNQALKKKR-UHFFFAOYSA-N
XLogP2.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-dibenzofuran-2-ylpropan-1-amine chloride
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5-(2-methyl-1,3-benzoxazol-6-yl)pentan-1-amine
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4-(3-aminopropyl)benzene-1,2-diamine
CID 82502911
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CID 82576497
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
6-(5-aminopentyl)-3H-1,3-benzoxazol-2-one
CID 96672161
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine?
The IUPAC name of 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine (CID 83884744) is 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine?
The canonical SMILES for 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine is NCCCc1ccc2cc(Cl)oc2c1.
What is the InChIKey of 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine?
The InChIKey is OJNNSVNQALKKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-11-7-9-4-3-8(2-1-5-13)6-10(9)14-11/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine?
3-(2-chloro-1-benzofuran-6-yl)propan-1-amine has a molecular weight of 209.68 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-1-benzofuran-6-yl)propan-1-amine is sourced from PubChem (CID 83884744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).