N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine

C16H21NOS — CID 3062037

IUPACN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCOc1cccc(CC(NC(C)C)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3/h4-10,12,15,17H,11H2,1-3H3
InChIKeyVKKFYSRAZIRDPN-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.04
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine

N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine (PubChem CID 3062037) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine
PubChem CID3062037
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine
SMILESCOc1cccc(CC(NC(C)C)c2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3/h4-10,12,15,17H,11H2,1-3H3
InChIKeyVKKFYSRAZIRDPN-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]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

N-[2-(4-methylphenyl)-1-thiophen-2-ylethyl]propan-2-amine
CID 3062035
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
N-(2-fluoro-1-thiophen-2-ylethyl)propan-2-amine
CID 83817718
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 51311545
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine (CID 3062037) is N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine is COc1cccc(CC(NC(C)C)c2cccs2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
The InChIKey is VKKFYSRAZIRDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(2)17-15(16-8-5-9-19-16)11-13-6-4-7-14(10-13)18-3/h4-10,12,15,17H,11H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine?
N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-1-thiophen-2-ylethyl]propan-2-amine is sourced from PubChem (CID 3062037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).