(1S)-1-(1-benzofuran-3-yl)pentan-1-amine

C13H17NO — CID 165356907

IUPAC(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1coc2ccccc12
InChIInChI=1S/C13H17NO/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8-9,12H,2-3,7,14H2,1H3/t12-/m0/s1
InChIKeyIBKKMDMGRQJKFI-LBPRGKRZSA-N
MW203.29 g/mol
LogP3.62
Rot. Bonds4

About (1S)-1-(1-benzofuran-3-yl)pentan-1-amine

(1S)-1-(1-benzofuran-3-yl)pentan-1-amine (PubChem CID 165356907) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1S)-1-(1-benzofuran-3-yl)pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
PubChem CID165356907
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
SMILESCCCC[C@H](N)c1coc2ccccc12
InChIInChI=1S/C13H17NO/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8-9,12H,2-3,7,14H2,1H3/t12-/m0/s1
InChIKeyIBKKMDMGRQJKFI-LBPRGKRZSA-N
XLogP3.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
1-(1-benzofuran-3-yl)-3-methylbutane-1,4-diamine
CID 116934253
2-(1-benzofuran-3-yl)octanoic acid
CID 66764434
1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
CID 62956806
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
1-(1-benzofuran-3-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447303
1-(1-benzofuran-3-yl)-2-methylpentan-1-ol
CID 107892766
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzofuran-3-yl)pentan-1-amine?
The IUPAC name of (1S)-1-(1-benzofuran-3-yl)pentan-1-amine (CID 165356907) is (1S)-1-(1-benzofuran-3-yl)pentan-1-amine.
What is the SMILES notation for (1S)-1-(1-benzofuran-3-yl)pentan-1-amine?
The canonical SMILES for (1S)-1-(1-benzofuran-3-yl)pentan-1-amine is CCCC[C@H](N)c1coc2ccccc12.
What is the InChIKey of (1S)-1-(1-benzofuran-3-yl)pentan-1-amine?
The InChIKey is IBKKMDMGRQJKFI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-7-12(14)11-9-15-13-8-5-4-6-10(11)13/h4-6,8-9,12H,2-3,7,14H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-(1-benzofuran-3-yl)pentan-1-amine?
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzofuran-3-yl)pentan-1-amine is sourced from PubChem (CID 165356907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).