1-(4-chloro-1-benzofuran-3-yl)propan-2-amine

C11H12ClNO — CID 117119159

IUPAC1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
SMILESCC(N)Cc1coc2cccc(Cl)c12
InChIInChI=1S/C11H12ClNO/c1-7(13)5-8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7H,5,13H2,1H3
InChIKeyZTLAQSFZBZYOET-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.98
Rot. Bonds2

About 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine

1-(4-chloro-1-benzofuran-3-yl)propan-2-amine (PubChem CID 117119159) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
PubChem CID117119159
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1-(4-chloro-1-benzofuran-3-yl)propan-2-amine
SMILESCC(N)Cc1coc2cccc(Cl)c12
InChIInChI=1S/C11H12ClNO/c1-7(13)5-8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7H,5,13H2,1H3
InChIKeyZTLAQSFZBZYOET-UHFFFAOYSA-N
XLogP2.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

4-chloro-3-(methoxymethyl)-1-benzofuran
CID 117170460
2-(4-chloro-1-benzofuran-3-yl)propan-1-ol
CID 117119144
1-(4-chloro-1H-indol-3-yl)propan-2-amine
CID 12832
1-(4-bromo-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194801
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
2-[(2R)-2-aminopropyl]-6-chlorobenzoic acid
CID 131123294
3-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119182
1-(7-chloro-1-benzofuran-2-yl)propan-2-amine
CID 114735430
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-(2,4,5-trichlorophenyl)propan-2-amine;hydrochloride
CID 3041172
3-[(2R)-2-aminopropyl]-2-bromophenol
CID 130742864
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine?
The IUPAC name of 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine (CID 117119159) is 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine is CC(N)Cc1coc2cccc(Cl)c12.
What is the InChIKey of 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine?
The InChIKey is ZTLAQSFZBZYOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-7(13)5-8-6-14-10-4-2-3-9(12)11(8)10/h2-4,6-7H,5,13H2,1H3.
What are the key properties of 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine?
1-(4-chloro-1-benzofuran-3-yl)propan-2-amine has a molecular weight of 209.68 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-benzofuran-3-yl)propan-2-amine is sourced from PubChem (CID 117119159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).