2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine

C11H15F3N2O — CID 103388027

IUPAC2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCOc1ccc(NC(C)CN)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-7(6-15)16-10-4-3-8(17-2)5-9(10)11(12,13)14/h3-5,7,16H,6,15H2,1-2H3
InChIKeyLQOHGIZTKCPJHL-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.47
Rot. Bonds4

About 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine

2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 103388027) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID103388027
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCOc1ccc(NC(C)CN)c(C(F)(F)F)c1
InChIInChI=1S/C11H15F3N2O/c1-7(6-15)16-10-4-3-8(17-2)5-9(10)11(12,13)14/h3-5,7,16H,6,15H2,1-2H3
InChIKeyLQOHGIZTKCPJHL-UHFFFAOYSA-N
XLogP2.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82013444
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 116500897
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
N-(2-ethylbutyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 43678119
2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile
CID 81304985
N-[1-(4-bromothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 107353986
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678129
2-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117337731
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 103388027) is 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine is COc1ccc(NC(C)CN)c(C(F)(F)F)c1.
What is the InChIKey of 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is LQOHGIZTKCPJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(6-15)16-10-4-3-8(17-2)5-9(10)11(12,13)14/h3-5,7,16H,6,15H2,1-2H3.
What are the key properties of 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine?
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 103388027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).