N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine

C16H20ClNS — CID 43692482

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H20ClNS/c1-3-7-14(13-8-5-4-6-9-13)18-12(2)15-10-11-16(17)19-15/h4-6,8-12,14,18H,3,7H2,1-2H3
InChIKeyYZJIVCREFDDWOT-UHFFFAOYSA-N
MW293.86 g/mol
LogP5.59
Rot. Bonds6

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 43692482) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID43692482
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCCCC(NC(C)c1ccc(Cl)s1)c1ccccc1
InChIInChI=1S/C16H20ClNS/c1-3-7-14(13-8-5-4-6-9-13)18-12(2)15-10-11-16(17)19-15/h4-6,8-12,14,18H,3,7H2,1-2H3
InChIKeyYZJIVCREFDDWOT-UHFFFAOYSA-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

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[[(1S)-1-(5-chlorothiophen-2-yl)ethyl]amino]-4-phenylbutan-1-ol
CID 97322792
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-ethyl-1-phenylbutan-1-amine
CID 43734683
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81377753
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine (CID 43692482) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine is CCCC(NC(C)c1ccc(Cl)s1)c1ccccc1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is YZJIVCREFDDWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-3-7-14(13-8-5-4-6-9-13)18-12(2)15-10-11-16(17)19-15/h4-6,8-12,14,18H,3,7H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-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 N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43692482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).