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

C11H15F3N2 — CID 63760135

IUPAC1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCC(N)CN(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(15)7-16(2)10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,7,15H2,1-2H3
InChIKeyPCNBCQBZWVBVQL-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.49
Rot. Bonds3

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

1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine (PubChem CID 63760135) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
PubChem CID63760135
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
SMILESCC(N)CN(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2/c1-8(15)7-16(2)10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,7,15H2,1-2H3
InChIKeyPCNBCQBZWVBVQL-UHFFFAOYSA-N
XLogP2.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)aniline
CID 107205331
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742
N,N'-bis[2-(trifluoromethyl)phenyl]-N,N'-bis(trimethylsilyl)ethane-1,2-diamine
CID 22251734
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
N-(2-bromopropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80665083
3-[N-(cyanomethyl)-2-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 82318525
N'-butyl-N'-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 55218520

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine (CID 63760135) is 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine is CC(N)CN(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
The InChIKey is PCNBCQBZWVBVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c1-8(15)7-16(2)10-6-4-3-5-9(10)11(12,13)14/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine?
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine has a molecular weight of 232.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 63760135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).