(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

C18H21NOS — CID 81354541

IUPAC(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2Cc3ccccc3S2)c1
InChIInChI=1S/C18H21NOS/c1-13(14-7-5-8-16(10-14)20-2)19-12-17-11-15-6-3-4-9-18(15)21-17/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGIFFAZZUMAKOAI-CWQZNGJJSA-N
MW299.44 g/mol
LogP4.06
Rot. Bonds5

About (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine

(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (PubChem CID 81354541) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
PubChem CID81354541
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc([C@H](C)NCC2Cc3ccccc3S2)c1
InChIInChI=1S/C18H21NOS/c1-13(14-7-5-8-16(10-14)20-2)19-12-17-11-15-6-3-4-9-18(15)21-17/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m0/s1
InChIKeyGIFFAZZUMAKOAI-CWQZNGJJSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)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

(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
CID 81353201
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
(1R)-1-(3-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81376792
(1S)-1-(3-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638935
1-[3-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)phenyl]-N-methylethanamine
CID 79205934
1-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 103729491
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethoxyaniline
CID 79222550
N-(1,4-dioxan-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54907826

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine (CID 81354541) is (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine is COc1cccc([C@H](C)NCC2Cc3ccccc3S2)c1.
What is the InChIKey of (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
The InChIKey is GIFFAZZUMAKOAI-CWQZNGJJSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13(14-7-5-8-16(10-14)20-2)19-12-17-11-15-6-3-4-9-18(15)21-17/h3-10,13,17,19H,11-12H2,1-2H3/t13-,17?/m0/s1.
What are the key properties of (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine?
(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine has a molecular weight of 299.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 81354541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).