(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine

C12H14F3NO — CID 171208388

IUPAC(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc([C@H](N)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-17-10-5-8(11(16)7-2-3-7)4-9(6-10)12(13,14)15/h4-7,11H,2-3,16H2,1H3/t11-/m1/s1
InChIKeySGJIBQDVCHBZKS-LLVKDONJSA-N
MW245.24 g/mol
LogP3.12
Rot. Bonds3

About (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine

(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 171208388) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
PubChem CID171208388
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cc([C@H](N)C2CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-17-10-5-8(11(16)7-2-3-7)4-9(6-10)12(13,14)15/h4-7,11H,2-3,16H2,1H3/t11-/m1/s1
InChIKeySGJIBQDVCHBZKS-LLVKDONJSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
[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
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171208362

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine (CID 171208388) is (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine is COc1cc([C@H](N)C2CC2)cc(C(F)(F)F)c1.
What is the InChIKey of (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SGJIBQDVCHBZKS-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-10-5-8(11(16)7-2-3-7)4-9(6-10)12(13,14)15/h4-7,11H,2-3,16H2,1H3/t11-/m1/s1.
What are the key properties of (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine?
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 245.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).