(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine

C15H20F3NO — CID 171227976

IUPAC(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc([C@@H](N)C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-20-13-8-11(7-12(9-13)15(16,17)18)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m0/s1
InChIKeyQOZDKYXABGZGSN-AWEZNQCLSA-N
MW287.32 g/mol
LogP4.29
Rot. Bonds3

About (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine

(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171227976) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171227976
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc([C@@H](N)C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO/c1-20-13-8-11(7-12(9-13)15(16,17)18)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m0/s1
InChIKeyQOZDKYXABGZGSN-AWEZNQCLSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(1R,2S)-2-amino-1-cyclohexyl-2-(3,5-dimethoxyphenyl)ethanol
CID 171162272
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine (CID 171227976) is (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine is COc1cc([C@@H](N)C2CCCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QOZDKYXABGZGSN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-20-13-8-11(7-12(9-13)15(16,17)18)14(19)10-5-3-2-4-6-10/h7-10,14H,2-6,19H2,1H3/t14-/m0/s1.
What are the key properties of (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171227976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).