(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

C12H15ClF3NO — CID 171227973

IUPAC(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C2CC2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14F3NO.ClH/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;1H/t11-;/m0./s1
InChIKeyJPSNDCDCHCOMLO-MERQFXBCSA-N
MW281.71 g/mol
LogP3.55
Rot. Bonds3

About (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride

(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 171227973) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID171227973
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCOc1cc([C@@H](N)C2CC2)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C12H14F3NO.ClH/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;1H/t11-;/m0./s1
InChIKeyJPSNDCDCHCOMLO-MERQFXBCSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.55
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)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
CID 171922490
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(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
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(S)-cyclopropyl-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171234289
(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171208362

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 171227973) is (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is COc1cc([C@@H](N)C2CC2)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is JPSNDCDCHCOMLO-MERQFXBCSA-N. The full InChI is InChI=1S/C12H14F3NO.ClH/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;1H/t11-;/m0./s1.
What are the key properties of (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride?
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 281.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171227973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).