N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine

C15H18ClNS — CID 102976436

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2csc(Cl)c2)cc1
InChIInChI=1S/C15H18ClNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)14-8-15(16)18-9-14/h4-9,11-12,17H,1-3H3
InChIKeyUCBMUSNSDFPIMM-UHFFFAOYSA-N
MW279.84 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine

N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine (PubChem CID 102976436) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
PubChem CID102976436
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(C)c2csc(Cl)c2)cc1
InChIInChI=1S/C15H18ClNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)14-8-15(16)18-9-14/h4-9,11-12,17H,1-3H3
InChIKeyUCBMUSNSDFPIMM-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.84
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 102976328
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-cyclopropylethanamine
CID 102976313
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81366687
3-[1-(5-chlorothiophen-3-yl)ethylamino]-2-methylbutan-1-ol
CID 102976626
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 102976414
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
1-(4-methylphenyl)-N-[1-(3-methylphenyl)ethyl]ethanamine
CID 54863165
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 63448794

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine (CID 102976436) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NC(C)c2csc(Cl)c2)cc1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is UCBMUSNSDFPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS/c1-10-4-6-13(7-5-10)11(2)17-12(3)14-8-15(16)18-9-14/h4-9,11-12,17H,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 279.84 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 102976436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).