(2S)-1-(1-benzofuran-5-yl)butan-2-amine

C12H15NO — CID 168924100

IUPAC(2S)-1-(1-benzofuran-5-yl)butan-2-amine
SMILESCC[C@H](N)Cc1ccc2occc2c1
InChIInChI=1S/C12H15NO/c1-2-11(13)8-9-3-4-12-10(7-9)5-6-14-12/h3-7,11H,2,8,13H2,1H3/t11-/m0/s1
InChIKeyQUDQEGDHQTYJJD-NSHDSACASA-N
MW189.26 g/mol
LogP2.71
Rot. Bonds3

About (2S)-1-(1-benzofuran-5-yl)butan-2-amine

(2S)-1-(1-benzofuran-5-yl)butan-2-amine (PubChem CID 168924100) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-1-(1-benzofuran-5-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-benzofuran-5-yl)butan-2-amine
PubChem CID168924100
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-(1-benzofuran-5-yl)butan-2-amine
SMILESCC[C@H](N)Cc1ccc2occc2c1
InChIInChI=1S/C12H15NO/c1-2-11(13)8-9-3-4-12-10(7-9)5-6-14-12/h3-7,11H,2,8,13H2,1H3/t11-/m0/s1
InChIKeyQUDQEGDHQTYJJD-NSHDSACASA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzofuran-5-ylmethanamine
CID 2795182
2-(1-benzofuran-5-yl)-1-cyclopropylethanamine
CID 83831831
3-(1-benzofuran-5-yl)-2-methylpropanal
CID 83829075
3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
CID 163688101
5-(chloromethyl)-1-benzofuran
CID 54069342
5-(propan-2-yloxymethyl)-1-benzofuran
CID 166645966
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
tert-butyl N-[(2R)-1-(1-benzofuran-5-yl)propan-2-yl]-N-methylcarbamate
CID 168745505
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-benzofuran-5-ylmethanamine;2-oxobutanoyl chloride
CID 87888033
2-(1-benzofuran-5-yl)-1-cyclopropyl-N-methylethanamine;1-(1-benzofuran-5-yl)-N-methylhexan-2-amine;ethane
CID 168924257
(2S)-2-amino-4-(1-benzofuran-5-yl)butanoic acid
CID 168737389

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzofuran-5-yl)butan-2-amine?
The IUPAC name of (2S)-1-(1-benzofuran-5-yl)butan-2-amine (CID 168924100) is (2S)-1-(1-benzofuran-5-yl)butan-2-amine.
What is the SMILES notation for (2S)-1-(1-benzofuran-5-yl)butan-2-amine?
The canonical SMILES for (2S)-1-(1-benzofuran-5-yl)butan-2-amine is CC[C@H](N)Cc1ccc2occc2c1.
What is the InChIKey of (2S)-1-(1-benzofuran-5-yl)butan-2-amine?
The InChIKey is QUDQEGDHQTYJJD-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO/c1-2-11(13)8-9-3-4-12-10(7-9)5-6-14-12/h3-7,11H,2,8,13H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(1-benzofuran-5-yl)butan-2-amine?
(2S)-1-(1-benzofuran-5-yl)butan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzofuran-5-yl)butan-2-amine is sourced from PubChem (CID 168924100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).