(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

C15H20F3NO — CID 105093730

IUPAC(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccccc1C(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)15(16,17)18/h2-5,10-11,14H,6-9,19H2,1H3
InChIKeyRUQDWTPDJTVLFH-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.06
Rot. Bonds3

About (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine

(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105093730) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105093730
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccccc1C(N)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)15(16,17)18/h2-5,10-11,14H,6-9,19H2,1H3
InChIKeyRUQDWTPDJTVLFH-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(4,4-difluorocyclohexyl)-(2-methoxyphenyl)methanamine
CID 105093642
(S)-(2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 131274584
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
4-[amino-(2-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 116938818
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(S)-cyclopropyl-[2-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171230981
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine (CID 105093730) is (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is COc1ccccc1C(N)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is RUQDWTPDJTVLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-20-13-5-3-2-4-12(13)14(19)10-6-8-11(9-7-10)15(16,17)18/h2-5,10-11,14H,6-9,19H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine?
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105093730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).