(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine

C14H18F3NO2 — CID 171249121

IUPAC(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-19-10-2-3-11(12(8-10)14(15,16)17)13(18)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,18H2,1H3/t13-/m1/s1
InChIKeyLQJPWVSQILBXIB-CYBMUJFWSA-N
MW289.30 g/mol
LogP3.14
Rot. Bonds3

About (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine

(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine (PubChem CID 171249121) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
PubChem CID171249121
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
SMILESCOc1ccc([C@H](N)C2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO2/c1-19-10-2-3-11(12(8-10)14(15,16)17)13(18)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,18H2,1H3/t13-/m1/s1
InChIKeyLQJPWVSQILBXIB-CYBMUJFWSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(S)-(2,5-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 94891789
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
(S)-[2-methoxy-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171245200
(R)-(5-methoxy-1H-indol-3-yl)-(oxan-4-yl)methanamine
CID 171246170
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
(2-methoxy-4-methylphenyl)-(oxan-4-yl)methanamine
CID 83824354
(S)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131397243
(R)-cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 131415856
(2-bromo-4-methoxyphenyl)-cyclopropylmethanamine
CID 3340478

Frequently Asked Questions

What is the IUPAC name of (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The IUPAC name of (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine (CID 171249121) is (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine.
What is the SMILES notation for (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The canonical SMILES for (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine is COc1ccc([C@H](N)C2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
The InChIKey is LQJPWVSQILBXIB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-19-10-2-3-11(12(8-10)14(15,16)17)13(18)9-4-6-20-7-5-9/h2-3,8-9,13H,4-7,18H2,1H3/t13-/m1/s1.
What are the key properties of (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine?
(R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine has a molecular weight of 289.30 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-methoxy-2-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine is sourced from PubChem (CID 171249121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).