1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine

C16H20ClNS — CID 81398782

IUPAC1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
SMILESCCCC(N[C@H](C)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-3-5-15(13-7-9-14(17)10-8-13)18-12(2)16-6-4-11-19-16/h4,6-12,15,18H,3,5H2,1-2H3/t12-,15?/m1/s1
InChIKeyJUZPAVHGXRVHBA-KEKZHRQWSA-N
MW293.86 g/mol
LogP5.59
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine

1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine (PubChem CID 81398782) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
PubChem CID81398782
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
SMILESCCCC(N[C@H](C)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-3-5-15(13-7-9-14(17)10-8-13)18-12(2)16-6-4-11-19-16/h4,6-12,15,18H,3,5H2,1-2H3/t12-,15?/m1/s1
InChIKeyJUZPAVHGXRVHBA-KEKZHRQWSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 83069697
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine (CID 81398782) is 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine is CCCC(N[C@H](C)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine?
The InChIKey is JUZPAVHGXRVHBA-KEKZHRQWSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-3-5-15(13-7-9-14(17)10-8-13)18-12(2)16-6-4-11-19-16/h4,6-12,15,18H,3,5H2,1-2H3/t12-,15?/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine?
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine has a molecular weight of 293.86 g/mol, XLogP of 5.59, 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-[(1R)-1-thiophen-2-ylethyl]butan-1-amine is sourced from PubChem (CID 81398782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).