N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

C13H18F3NS — CID 43434497

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H18F3NS/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,17H,2-5,8H2,1H3
InChIKeyPKODHEGIMDYBFC-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.27
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine

N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434497) has the molecular formula C13H18F3NS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434497
Molecular FormulaC13H18F3NS
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCc1ccc(CNC2CCCCC2C(F)(F)F)s1
InChIInChI=1S/C13H18F3NS/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,17H,2-5,8H2,1H3
InChIKeyPKODHEGIMDYBFC-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-benzyl(5-methyl-2-thienyl)methanamine
CID 4721388
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520
1-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 16192824
2-Thenylamine, alpha-benzyl-N-isopropyl-, hydrochloride
CID 3061991

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 43434497) is N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is Cc1ccc(CNC2CCCCC2C(F)(F)F)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PKODHEGIMDYBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-9-6-7-10(18-9)8-17-12-5-3-2-4-11(12)13(14,15)16/h6-7,11-12,17H,2-5,8H2,1H3.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).