2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine

C17H22ClNS — CID 79441550

IUPAC2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNS/c1-3-16-9-10-17(20-16)11-14(12-19-4-2)13-5-7-15(18)8-6-13/h5-10,14,19H,3-4,11-12H2,1-2H3
InChIKeyQLMXXUGVKSYEHZ-UHFFFAOYSA-N
MW307.89 g/mol
LogP4.90
Rot. Bonds7

About 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine

2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine (PubChem CID 79441550) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
PubChem CID79441550
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
SMILESCCNCC(Cc1ccc(CC)s1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClNS/c1-3-16-9-10-17(20-16)11-14(12-19-4-2)13-5-7-15(18)8-6-13/h5-10,14,19H,3-4,11-12H2,1-2H3
InChIKeyQLMXXUGVKSYEHZ-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-2-(4-chlorophenyl)propyl]-5-ethylthiophene
CID 79434857
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
3-(5-bromothiophen-2-yl)-2-(4-chlorophenyl)-N-methylpropan-1-amine
CID 79441567
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-amine
CID 79439048
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
3-(4-chlorophenyl)-4-(ethylamino)butanal
CID 89108234
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
3-(5-chlorothiophen-2-yl)-2-(4-methylphenyl)-N-propylpropan-1-amine
CID 79436514

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine (CID 79441550) is 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine is CCNCC(Cc1ccc(CC)s1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine?
The InChIKey is QLMXXUGVKSYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-3-16-9-10-17(20-16)11-14(12-19-4-2)13-5-7-15(18)8-6-13/h5-10,14,19H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine?
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 79441550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).