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

C17H22ClNS — CID 63431464

IUPAC1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(C)NC(CC)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H22ClNS/c1-4-15-10-11-17(20-15)12(3)19-16(5-2)13-6-8-14(18)9-7-13/h6-12,16,19H,4-5H2,1-3H3
InChIKeyJACQLBWHRDGDFN-UHFFFAOYSA-N
MW307.89 g/mol
LogP5.77
Rot. Bonds6

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

1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 63431464) has the molecular formula C17H22ClNS and a molecular weight of 307.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID63431464
Molecular FormulaC17H22ClNS
Molecular Weight307.89 g/mol
Exact Mass307.12
IUPAC Name1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCc1ccc(C(C)NC(CC)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H22ClNS/c1-4-15-10-11-17(20-15)12(3)19-16(5-2)13-6-8-14(18)9-7-13/h6-12,16,19H,4-5H2,1-3H3
InChIKeyJACQLBWHRDGDFN-UHFFFAOYSA-N
XLogP5.77
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 ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-bromothiophen-2-yl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 63431288
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351461
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
(1R)-1-(4-chlorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 97333530
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 63431464) is 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCc1ccc(C(C)NC(CC)c2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is JACQLBWHRDGDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNS/c1-4-15-10-11-17(20-15)12(3)19-16(5-2)13-6-8-14(18)9-7-13/h6-12,16,19H,4-5H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 307.89 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63431464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).