(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

C15H19F4NO — CID 103397393

IUPAC(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccc(C(N)C2CCCC(C(F)(F)F)C2)c(F)c1
InChIInChI=1S/C15H19F4NO/c1-21-11-5-6-12(13(16)8-11)14(20)9-3-2-4-10(7-9)15(17,18)19/h5-6,8-10,14H,2-4,7,20H2,1H3
InChIKeyDCPRXPRLHCBTPB-UHFFFAOYSA-N
MW305.31 g/mol
LogP4.20
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine

(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 103397393) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID103397393
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
SMILESCOc1ccc(C(N)C2CCCC(C(F)(F)F)C2)c(F)c1
InChIInChI=1S/C15H19F4NO/c1-21-11-5-6-12(13(16)8-11)14(20)9-3-2-4-10(7-9)15(17,18)19/h5-6,8-10,14H,2-4,7,20H2,1H3
InChIKeyDCPRXPRLHCBTPB-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
(2,5-difluorophenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105143945
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105286260
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine (CID 103397393) is (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is COc1ccc(C(N)C2CCCC(C(F)(F)F)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is DCPRXPRLHCBTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-21-11-5-6-12(13(16)8-11)14(20)9-3-2-4-10(7-9)15(17,18)19/h5-6,8-10,14H,2-4,7,20H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine?
(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 305.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 103397393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).