(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

C17H18BrNO — CID 81383137

IUPAC(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-12(14-6-2-4-8-16(14)18)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3/t12-,13?/m0/s1
InChIKeyHDIILVOGGJWSAZ-UEWDXFNNSA-N
MW332.24 g/mol
LogP4.28
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine

(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (PubChem CID 81383137) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
PubChem CID81383137
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
SMILESC[C@H](NCC1COc2ccccc21)c1ccccc1Br
InChIInChI=1S/C17H18BrNO/c1-12(14-6-2-4-8-16(14)18)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3/t12-,13?/m0/s1
InChIKeyHDIILVOGGJWSAZ-UEWDXFNNSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine 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

1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859372
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241606
2-(1-chloroethyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)aniline
CID 79229682
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351
2-(2-bromophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propanoic acid
CID 79435040
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
(1S)-1-(2-bromophenyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)ethanamine
CID 81378066
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine (CID 81383137) is (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is C[C@H](NCC1COc2ccccc21)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
The InChIKey is HDIILVOGGJWSAZ-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12(14-6-2-4-8-16(14)18)19-10-13-11-20-17-9-5-3-7-15(13)17/h2-9,12-13,19H,10-11H2,1H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine?
(1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine has a molecular weight of 332.24 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine is sourced from PubChem (CID 81383137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).