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

C20H25F3N2 — CID 20601064

IUPAC2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
SMILESCCNC(C)(C)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-4-25-19(2,3)14-24-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20(21,22)23/h5-12,24-25H,4,13-14H2,1-3H3
InChIKeyPPGJWSSVLWJODD-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.85
Rot. Bonds7

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

2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine (PubChem CID 20601064) has the molecular formula C20H25F3N2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
PubChem CID20601064
Molecular FormulaC20H25F3N2
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine
SMILESCCNC(C)(C)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H25F3N2/c1-4-25-19(2,3)14-24-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20(21,22)23/h5-12,24-25H,4,13-14H2,1-3H3
InChIKeyPPGJWSSVLWJODD-UHFFFAOYSA-N
XLogP4.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]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

2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 134406499
2,4,4-trimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentan-2-amine
CID 43434184
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
tert-butyl 4-[4-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzoate
CID 67188113
N-[[4-(trifluoromethyl)phenyl]methyl]nonan-1-amine
CID 60669224
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343
2-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 79810535
N-[(4-methylsulfanylphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60699641

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine (CID 20601064) is 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine is CCNC(C)(C)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine?
The InChIKey is PPGJWSSVLWJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2/c1-4-25-19(2,3)14-24-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20(21,22)23/h5-12,24-25H,4,13-14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine?
2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine has a molecular weight of 350.43 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-1-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 20601064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).