1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine

C12H13Cl2NO — CID 43149764

IUPAC1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-6(2)11(15)10-4-7-3-8(13)5-9(14)12(7)16-10/h3-6,11H,15H2,1-2H3
InChIKeyRFWARQWKTDQBQA-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.40
Rot. Bonds2

About 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine

1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine (PubChem CID 43149764) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
PubChem CID43149764
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C12H13Cl2NO/c1-6(2)11(15)10-4-7-3-8(13)5-9(14)12(7)16-10/h3-6,11H,15H2,1-2H3
InChIKeyRFWARQWKTDQBQA-UHFFFAOYSA-N
XLogP4.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,7-dichloro-1-benzofuran-2-yl)-(3,4-dimethylphenyl)methanamine
CID 43149767
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65439450
1-(6,7-difluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440612
(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
CID 43149779
1-(5,7-dichloro-1-benzofuran-2-yl)-N-ethylpropan-1-amine
CID 65439053
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
1-(7-chloro-1-benzofuran-2-yl)-2-methoxypropan-1-amine
CID 114729864
N-[(5,7-dichloro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438619
1-(7-tert-butyl-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65440384
1-(5-chloro-7-methyl-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426697
1-(5-chloro-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65441138
1-(7-chloro-1-benzofuran-2-yl)-2,2-difluoroethanamine
CID 103517192

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine (CID 43149764) is 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1cc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
The InChIKey is RFWARQWKTDQBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-6(2)11(15)10-4-7-3-8(13)5-9(14)12(7)16-10/h3-6,11H,15H2,1-2H3.
What are the key properties of 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine?
1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine has a molecular weight of 258.15 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-1-benzofuran-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 43149764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).