(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C13H18F3NS — CID 105162179

IUPAC(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1ccc(C(N)C2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3NS/c1-8-2-7-11(18-8)12(17)9-3-5-10(6-4-9)13(14,15)16/h2,7,9-10,12H,3-6,17H2,1H3
InChIKeyTUYAMPFRVRUKEQ-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.43
Rot. Bonds2

About (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105162179) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105162179
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCc1ccc(C(N)C2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C13H18F3NS/c1-8-2-7-11(18-8)12(17)9-3-5-10(6-4-9)13(14,15)16/h2,7,9-10,12H,3-6,17H2,1H3
InChIKeyTUYAMPFRVRUKEQ-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105173547
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105232678
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105149474
cyclopropyl-[5-[2-methyl-5-(trifluoromethyl)phenyl]thiophen-2-yl]methanamine
CID 66475661
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
(4-propylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105144448
(3,5-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105142128
(5-methylthiophen-2-yl)-(thian-2-yl)methanamine
CID 80627664
2,3-dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653422

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105162179) is (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is Cc1ccc(C(N)C2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is TUYAMPFRVRUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-8-2-7-11(18-8)12(17)9-3-5-10(6-4-9)13(14,15)16/h2,7,9-10,12H,3-6,17H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 277.35 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105162179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).