1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine

C12H14ClNO2 — CID 114729864

IUPAC1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H14ClNO2/c1-7(15-2)11(14)10-6-8-4-3-5-9(13)12(8)16-10/h3-7,11H,14H2,1-2H3
InChIKeyGJPSQKJGVIGFBH-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.12
Rot. Bonds3

About 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine

1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine (PubChem CID 114729864) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
PubChem CID114729864
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
SMILESCOC(C)C(N)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H14ClNO2/c1-7(15-2)11(14)10-6-8-4-3-5-9(13)12(8)16-10/h3-7,11H,14H2,1-2H3
InChIKeyGJPSQKJGVIGFBH-UHFFFAOYSA-N
XLogP3.12
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 114731255
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192
(7-chloro-1-benzofuran-2-yl)-(2,6-dichlorophenyl)methanamine
CID 105048440
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731165
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-(7-chloro-1-benzofuran-2-yl)-2-methoxy-N-methylpentan-1-amine
CID 114731140
1-(7-chloro-1-benzofuran-2-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 114729528
(7-chloro-1-benzofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 114730389
1-(7-chloro-1-benzofuran-2-yl)-2-(4-methylphenyl)ethanamine
CID 114728299
(7-chloro-1-benzofuran-2-yl)-(3-methylfuran-2-yl)methanamine
CID 114730975

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine (CID 114729864) is 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine is COC(C)C(N)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine?
The InChIKey is GJPSQKJGVIGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7(15-2)11(14)10-6-8-4-3-5-9(13)12(8)16-10/h3-7,11H,14H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine?
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine has a molecular weight of 239.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 114729864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).