N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

C13H19F3N2 — CID 65384986

IUPACN-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-9(2)8-18-12(7-17)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyFJJDOLVDKQEVQL-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.95
Rot. Bonds5

About N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine

N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (PubChem CID 65384986) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
PubChem CID65384986
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC NameN-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
SMILESCC(C)CNC(CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H19F3N2/c1-9(2)8-18-12(7-17)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3
InChIKeyFJJDOLVDKQEVQL-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-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

N-(2-methylprop-2-enyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616278
2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 107441658
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
N-(2-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65383219
(2R)-2-fluoro-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 97052338
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine (CID 65384986) is N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is CC(C)CNC(CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
The InChIKey is FJJDOLVDKQEVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-9(2)8-18-12(7-17)10-4-3-5-11(6-10)13(14,15)16/h3-6,9,12,18H,7-8,17H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine?
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 65384986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).