N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine

C17H22ClNS — CID 106041158

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H22ClNS/c1-3-4-14-5-7-15(8-6-14)13(2)19-12-11-16-9-10-17(18)20-16/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyFVQSCMJGPWIFQH-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.25
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine (PubChem CID 106041158) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
PubChem CID106041158
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCCc2ccc(Cl)s2)cc1
InChIInChI=1S/C17H22ClNS/c1-3-4-14-5-7-15(8-6-14)13(2)19-12-11-16-9-10-17(18)20-16/h5-10,13,19H,3-4,11-12H2,1-2H3
InChIKeyFVQSCMJGPWIFQH-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.89
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991
2-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106042146
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106042121
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879163
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 106899436
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
(1S)-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356848
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine (CID 106041158) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCCc2ccc(Cl)s2)cc1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is FVQSCMJGPWIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-4-14-5-7-15(8-6-14)13(2)19-12-11-16-9-10-17(18)20-16/h5-10,13,19H,3-4,11-12H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 307.89 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 106041158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).