2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

C15H18ClNS — CID 62504774

IUPAC2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cccc(Cl)c2)NC)s1
InChIInChI=1S/C15H18ClNS/c1-3-13-7-8-15(18-13)14(17-2)10-11-5-4-6-12(16)9-11/h4-9,14,17H,3,10H2,1-2H3
InChIKeySDLKSJQABLZGRA-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.47
Rot. Bonds5

About 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine

2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (PubChem CID 62504774) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
PubChem CID62504774
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC Name2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
SMILESCCc1ccc(C(Cc2cccc(Cl)c2)NC)s1
InChIInChI=1S/C15H18ClNS/c1-3-13-7-8-15(18-13)14(17-2)10-11-5-4-6-12(16)9-11/h4-9,14,17H,3,10H2,1-2H3
InChIKeySDLKSJQABLZGRA-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115863104
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
1-(5-ethylthiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43480719
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
[1-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105284996
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
2-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-5-ethylthiophene
CID 66042924
2-(3-bromo-5-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105015574
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine (CID 62504774) is 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is CCc1ccc(C(Cc2cccc(Cl)c2)NC)s1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
The InChIKey is SDLKSJQABLZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-3-13-7-8-15(18-13)14(17-2)10-11-5-4-6-12(16)9-11/h4-9,14,17H,3,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine?
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine has a molecular weight of 279.84 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 62504774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).