1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol

C13H16ClNO2 — CID 114727142

IUPAC1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H16ClNO2/c1-15(2)7-6-11(16)12-8-9-4-3-5-10(14)13(9)17-12/h3-5,8,11,16H,6-7H2,1-2H3
InChIKeyNKMVLVDGAQJQJW-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.07
Rot. Bonds4

About 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol

1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol (PubChem CID 114727142) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
PubChem CID114727142
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H16ClNO2/c1-15(2)7-6-11(16)12-8-9-4-3-5-10(14)13(9)17-12/h3-5,8,11,16H,6-7H2,1-2H3
InChIKeyNKMVLVDGAQJQJW-UHFFFAOYSA-N
XLogP3.07
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512
1-(7-chloro-1-benzofuran-2-yl)-4-ethoxybutan-1-ol
CID 105130466
1-(7-chloro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115837469
1-(7-chloro-1-benzofuran-2-yl)-2-(3-methylphenyl)ethanol
CID 114726389
1-(7-chloro-1-benzofuran-2-yl)-2-methylpropan-1-ol
CID 65426322
1-(7-chloro-1-benzofuran-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115837599
1-(7-chloro-1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 114727163
(7-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 114726690
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-(7-chloro-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65440764
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
2-(3-bromobutan-2-yl)-7-chloro-1-benzofuran
CID 114732847

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol (CID 114727142) is 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol?
The InChIKey is NKMVLVDGAQJQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-15(2)7-6-11(16)12-8-9-4-3-5-10(14)13(9)17-12/h3-5,8,11,16H,6-7H2,1-2H3.
What are the key properties of 1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol?
1-(7-chloro-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-ol has a molecular weight of 253.73 g/mol, XLogP of 3.07, 4 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)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 114727142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).