(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride

C10H14ClF3N2O — CID 171227707

IUPAC(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CN)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H13F3N2O.ClH/c1-16-6-2-3-7(9(15)5-14)8(4-6)10(11,12)13;/h2-4,9H,5,14-15H2,1H3;1H/t9-;/m0./s1
InChIKeyFNOTWRBZIJUBHN-FVGYRXGTSA-N
MW270.68 g/mol
LogP2.09
Rot. Bonds3

About (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride

(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride (PubChem CID 171227707) has the molecular formula C10H14ClF3N2O and a molecular weight of 270.68 g/mol. Its IUPAC name is (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
PubChem CID171227707
Molecular FormulaC10H14ClF3N2O
Molecular Weight270.68 g/mol
Exact Mass270.07
IUPAC Name(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc([C@@H](N)CN)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H13F3N2O.ClH/c1-16-6-2-3-7(9(15)5-14)8(4-6)10(11,12)13;/h2-4,9H,5,14-15H2,1H3;1H/t9-;/m0./s1
InChIKeyFNOTWRBZIJUBHN-FVGYRXGTSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(1S)-2-cyclopropyl-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171227730
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
ethyl (3R)-3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171208180
ethyl (3R)-3-amino-2-fluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242404
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
1-(2-bromo-4-methoxyphenyl)ethane-1,2-diamine
CID 126973068
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride (CID 171227707) is (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride is COc1ccc([C@@H](N)CN)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride?
The InChIKey is FNOTWRBZIJUBHN-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13F3N2O.ClH/c1-16-6-2-3-7(9(15)5-14)8(4-6)10(11,12)13;/h2-4,9H,5,14-15H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride?
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride has a molecular weight of 270.68 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171227707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).