(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine

C15H20F3NO2 — CID 171216586

IUPAC(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H](N)C1CCCCC1
InChIInChI=1S/C15H20F3NO2/c1-20-13-9-11(21-15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m1/s1
InChIKeyRNTBCZIADHQKLS-CQSZACIVSA-N
MW303.32 g/mol
LogP4.17
Rot. Bonds4

About (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine

(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 171216586) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
PubChem CID171216586
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine
SMILESCOc1cc(OC(F)(F)F)ccc1[C@H](N)C1CCCCC1
InChIInChI=1S/C15H20F3NO2/c1-20-13-9-11(21-15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m1/s1
InChIKeyRNTBCZIADHQKLS-CQSZACIVSA-N
XLogP4.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol
CID 171266271
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171266272
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine
CID 171216572
(1R)-2-cyclopropyl-1-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171216573
2-[(R)-amino(cyclopentyl)methyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171210144
4-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol;hydrochloride
CID 171220298
(R)-cyclohexyl-(2,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171200242
4-[(R)-amino(cyclopentyl)methyl]-3-methoxyphenol;hydrochloride
CID 171200758
1-[(R)-cyclobutyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296970
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine (CID 171216586) is (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine is COc1cc(OC(F)(F)F)ccc1[C@H](N)C1CCCCC1.
What is the InChIKey of (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is RNTBCZIADHQKLS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-20-13-9-11(21-15(16,17)18)7-8-12(13)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m1/s1.
What are the key properties of (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine?
(R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 303.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-[2-methoxy-4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 171216586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).