N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C14H19ClF3NS — CID 107361656

IUPACN-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3
InChIKeyKDHDXPRJMBYJRV-UHFFFAOYSA-N
MW325.83 g/mol
LogP5.42
Rot. Bonds4

About N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 107361656) has the molecular formula C14H19ClF3NS and a molecular weight of 325.83 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID107361656
Molecular FormulaC14H19ClF3NS
Molecular Weight325.83 g/mol
Exact Mass325.09
IUPAC NameN-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1sccc1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H19ClF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3
InChIKeyKDHDXPRJMBYJRV-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.83
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173018
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
[(3-chlorothiophen-2-yl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105313020
N-[(3-chlorothiophen-2-yl)-(thiolan-2-yl)methyl]ethanamine
CID 107360038
1-(3-chlorothiophen-2-yl)-2-cyclopentyl-N-ethylethanamine
CID 80528924
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 80529187
1-(3-chlorothiophen-2-yl)-1-cyclobutyl-N-methylmethanamine
CID 80529179
1-(3-chlorothiophen-2-yl)-N-ethyl-2-(thian-4-yl)ethanamine
CID 107361859
N-[(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 105012158
N-[(3-chlorothiophen-2-yl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 107361920
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
N-[(3-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methyl]ethanamine
CID 80529022

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 107361656) is N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1sccc1Cl)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is KDHDXPRJMBYJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3NS/c1-2-19-12(13-11(15)7-8-20-13)9-3-5-10(6-4-9)14(16,17)18/h7-10,12,19H,2-6H2,1H3.
What are the key properties of N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 325.83 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 107361656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).