1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine

C18H21NOS — CID 79218161

IUPAC1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)CC2CSc3ccccc32)c1
InChIInChI=1S/C18H21NOS/c1-20-16-6-4-5-13(10-16)9-15(19)11-14-12-21-18-8-3-2-7-17(14)18/h2-8,10,14-15H,9,11-12,19H2,1H3
InChIKeyATWOCGKDUPXKGA-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.84
Rot. Bonds5

About 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine

1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 79218161) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine
PubChem CID79218161
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)CC2CSc3ccccc32)c1
InChIInChI=1S/C18H21NOS/c1-20-16-6-4-5-13(10-16)9-15(19)11-14-12-21-18-8-3-2-7-17(14)18/h2-8,10,14-15H,9,11-12,19H2,1H3
InChIKeyATWOCGKDUPXKGA-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-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

(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-methoxyphenyl)ethanamine
CID 64984484
[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-4-methoxyphenyl]methanamine
CID 79205890
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
2-benzyl-3-(2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 79214428

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine (CID 79218161) is 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)CC2CSc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is ATWOCGKDUPXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-20-16-6-4-5-13(10-16)9-15(19)11-14-12-21-18-8-3-2-7-17(14)18/h2-8,10,14-15H,9,11-12,19H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine?
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 79218161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).