(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C15H19ClF3NO — CID 105140994

IUPAC(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-21-13-7-6-9(16)8-11(13)14(20)10-4-2-3-5-12(10)15(17,18)19/h6-8,10,12,14H,2-5,20H2,1H3
InChIKeyQEJAVZANHAOABF-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.72
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105140994) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105140994
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccc(Cl)cc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H19ClF3NO/c1-21-13-7-6-9(16)8-11(13)14(20)10-4-2-3-5-12(10)15(17,18)19/h6-8,10,12,14H,2-5,20H2,1H3
InChIKeyQEJAVZANHAOABF-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107178190
(S)-(5-chloro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 171244638
(5-chloro-2-methoxyphenyl)-(2-ethyloxolan-3-yl)methanamine
CID 114104288
3-[amino-(5-chloro-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116937310
(5-chloro-2-methoxyphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107001396
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 60957296
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105140994) is (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is COc1ccc(Cl)cc1C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is QEJAVZANHAOABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c1-21-13-7-6-9(16)8-11(13)14(20)10-4-2-3-5-12(10)15(17,18)19/h6-8,10,12,14H,2-5,20H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 321.77 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105140994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).