(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine

C18H21NO — CID 794253

IUPAC(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
SMILESN[C@@H](CCCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c19-17(8-4-7-14-5-2-1-3-6-14)15-9-10-18-16(13-15)11-12-20-18/h1-3,5-6,9-10,13,17H,4,7-8,11-12,19H2/t17-/m0/s1
InChIKeySQZIPHNGPGCOOB-KRWDZBQOSA-N
MW267.37 g/mol
LogP3.64
Rot. Bonds5

About (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine

(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine (PubChem CID 794253) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
PubChem CID794253
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine
SMILESN[C@@H](CCCc1ccccc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NO/c19-17(8-4-7-14-5-2-1-3-6-14)15-9-10-18-16(13-15)11-12-20-18/h1-3,5-6,9-10,13,17H,4,7-8,11-12,19H2/t17-/m0/s1
InChIKeySQZIPHNGPGCOOB-KRWDZBQOSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 43482553
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
6-amino-6-(2,3-dihydro-1-benzofuran-5-yl)hexanamide
CID 54927378
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine?
The IUPAC name of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine (CID 794253) is (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine?
The canonical SMILES for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine is N[C@@H](CCCc1ccccc1)c1ccc2c(c1)CCO2.
What is the InChIKey of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine?
The InChIKey is SQZIPHNGPGCOOB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c19-17(8-4-7-14-5-2-1-3-6-14)15-9-10-18-16(13-15)11-12-20-18/h1-3,5-6,9-10,13,17H,4,7-8,11-12,19H2/t17-/m0/s1.
What are the key properties of (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine?
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 794253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).