1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine

C17H22ClNS — CID 107359725

IUPAC1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1sccc1Cl
InChIInChI=1S/C17H22ClNS/c1-4-17(5-2,13-9-7-6-8-10-13)16(19-3)15-14(18)11-12-20-15/h6-12,16,19H,4-5H2,1-3H3
InChIKeyYMKWNYCBZNMBTL-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.42
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine

1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine (PubChem CID 107359725) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine
PubChem CID107359725
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine
SMILESCCC(CC)(c1ccccc1)C(NC)c1sccc1Cl
InChIInChI=1S/C17H22ClNS/c1-4-17(5-2,13-9-7-6-8-10-13)16(19-3)15-14(18)11-12-20-15/h6-12,16,19H,4-5H2,1-3H3
InChIKeyYMKWNYCBZNMBTL-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-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

1-(3-chlorothiophen-2-yl)-2-ethyl-2-phenylbutan-1-amine
CID 107359724
[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217739
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine
CID 63155930
1-(3-chlorothiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 80529888
2-ethyl-1-(3-fluoro-4-pyridinyl)-N-methyl-2-phenylbutan-1-amine
CID 104738206
N-[(3-chlorothiophen-2-yl)-phenylmethyl]propan-1-amine
CID 80529572
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217742
3-chloro-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80530259
1-(3-chlorothiophen-2-yl)-2-N,2-N,2-triethyl-1-N-propylbutane-1,2-diamine
CID 107359906
2-(2-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 80529053
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine (CID 107359725) is 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine is CCC(CC)(c1ccccc1)C(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine?
The InChIKey is YMKWNYCBZNMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-4-17(5-2,13-9-7-6-8-10-13)16(19-3)15-14(18)11-12-20-15/h6-12,16,19H,4-5H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine?
1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-ethyl-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107359725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).