3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine

C16H17Cl2NS — CID 43692587

IUPAC3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl2NS/c1-10(15-6-7-16(18)20-15)19-14-8-12(9-14)11-2-4-13(17)5-3-11/h2-7,10,12,14,19H,8-9H2,1H3
InChIKeyBRVREFQFURMKCW-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.65
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine

3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 43692587) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
PubChem CID43692587
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C16H17Cl2NS/c1-10(15-6-7-16(18)20-15)19-14-8-12(9-14)11-2-4-13(17)5-3-11/h2-7,10,12,14,19H,8-9H2,1H3
InChIKeyBRVREFQFURMKCW-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
3-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 81349096
3-(4-chlorophenyl)-N-(1-methylsulfanylpropan-2-yl)cyclobutan-1-amine
CID 104530256
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91509964
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
3-(4-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)cyclobutan-1-amine
CID 43675913
3-(4-bromophenyl)-N-[1-(2-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634204

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine (CID 43692587) is 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine is CC(NC1CC(c2ccc(Cl)cc2)C1)c1ccc(Cl)s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is BRVREFQFURMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-10(15-6-7-16(18)20-15)19-14-8-12(9-14)11-2-4-13(17)5-3-11/h2-7,10,12,14,19H,8-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 326.29 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 43692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).