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

C18H21NO — CID 79219919

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(CC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-18(19,15-8-4-3-5-9-15)12-14-13-20-17-11-7-6-10-16(14)17/h3-11,14H,2,12-13,19H2,1H3
InChIKeyMYOGVNAHIIVSTI-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.82
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine (PubChem CID 79219919) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
PubChem CID79219919
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine
SMILESCCC(N)(CC1COc2ccccc21)c1ccccc1
InChIInChI=1S/C18H21NO/c1-2-18(19,15-8-4-3-5-9-15)12-14-13-20-17-11-7-6-10-16(14)17/h3-11,14H,2,12-13,19H2,1H3
InChIKeyMYOGVNAHIIVSTI-UHFFFAOYSA-N
XLogP3.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(chloromethyl)-2-phenylbutyl]-2,3-dihydro-1-benzofuran
CID 79220256
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
3-[2-(chloromethyl)-2-methylbutyl]-2,3-dihydro-1-benzofuran
CID 79220407
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
3-(2,3-dihydro-1-benzofuran-3-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79229269
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-3-amine
CID 79229605
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylpentan-1-ol
CID 106507820
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine (CID 79219919) is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine is CCC(N)(CC1COc2ccccc21)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine?
The InChIKey is MYOGVNAHIIVSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-18(19,15-8-4-3-5-9-15)12-14-13-20-17-11-7-6-10-16(14)17/h3-11,14H,2,12-13,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine?
1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylbutan-2-amine is sourced from PubChem (CID 79219919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).