1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

C16H20ClNS — CID 63774235

IUPAC1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-2-18-15(9-10-16-4-3-11-19-16)12-13-5-7-14(17)8-6-13/h3-8,11,15,18H,2,9-10,12H2,1H3
InChIKeyMRRIGDDTTQCTTM-UHFFFAOYSA-N
MW293.86 g/mol
LogP4.55
Rot. Bonds7

About 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 63774235) has the molecular formula C16H20ClNS and a molecular weight of 293.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
PubChem CID63774235
Molecular FormulaC16H20ClNS
Molecular Weight293.86 g/mol
Exact Mass293.10
IUPAC Name1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNS/c1-2-18-15(9-10-16-4-3-11-19-16)12-13-5-7-14(17)8-6-13/h3-8,11,15,18H,2,9-10,12H2,1H3
InChIKeyMRRIGDDTTQCTTM-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.86
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
N-ethyl-1-ethylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65128461
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (CID 63774235) is 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is MRRIGDDTTQCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNS/c1-2-18-15(9-10-16-4-3-11-19-16)12-13-5-7-14(17)8-6-13/h3-8,11,15,18H,2,9-10,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 293.86 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63774235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).