N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

C15H22F3NS — CID 105155633

IUPACN-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3NS/c1-3-19-14(12-7-10(2)20-9-12)11-5-4-6-13(8-11)15(16,17)18/h7,9,11,13-14,19H,3-6,8H2,1-2H3
InChIKeyBLYJWJQDFCEKDA-UHFFFAOYSA-N
MW305.41 g/mol
LogP5.08
Rot. Bonds4

About N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine

N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (PubChem CID 105155633) has the molecular formula C15H22F3NS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
PubChem CID105155633
Molecular FormulaC15H22F3NS
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC NameN-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
SMILESCCNC(c1csc(C)c1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H22F3NS/c1-3-19-14(12-7-10(2)20-9-12)11-5-4-6-13(8-11)15(16,17)18/h7,9,11,13-14,19H,3-6,8H2,1-2H3
InChIKeyBLYJWJQDFCEKDA-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105173991
N-[(1-ethylpyrazol-4-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105109287
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097372
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
[(5-methylthiophen-3-yl)-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313336
N-[cyclooctyl-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 80609279
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
[cyclopentyl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204481
N-[(2-methylcyclopentyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 107189268
N-[(3-methyloxan-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 114241957
N-[cyclopentyl-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 79704680

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine (CID 105155633) is N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is CCNC(c1csc(C)c1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
The InChIKey is BLYJWJQDFCEKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NS/c1-3-19-14(12-7-10(2)20-9-12)11-5-4-6-13(8-11)15(16,17)18/h7,9,11,13-14,19H,3-6,8H2,1-2H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine?
N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine has a molecular weight of 305.41 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 105155633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).