2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine

C14H20F4N2 — CID 107303842

IUPAC2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H20F4N2/c1-9(2)7-13(3,8-19)20-12-5-4-10(6-11(12)15)14(16,17)18/h4-6,9,20H,7-8,19H2,1-3H3
InChIKeyYLGGZYHQCCLUTI-UHFFFAOYSA-N
MW292.32 g/mol
LogP4.02
Rot. Bonds5

About 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine

2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine (PubChem CID 107303842) has the molecular formula C14H20F4N2 and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine
PubChem CID107303842
Molecular FormulaC14H20F4N2
Molecular Weight292.32 g/mol
Exact Mass292.16
IUPAC Name2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C14H20F4N2/c1-9(2)7-13(3,8-19)20-12-5-4-10(6-11(12)15)14(16,17)18/h4-6,9,20H,7-8,19H2,1-3H3
InChIKeyYLGGZYHQCCLUTI-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-chloro-5-fluorophenyl)-2,4-dimethylpentane-1,2-diamine
CID 107527946
2-N-(4-fluoro-2-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 115310095
4-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2,3-difluorobenzoic acid
CID 115310285
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107303431
3-[2-fluoro-4-(trifluoromethyl)anilino]-2-methylpropanoic acid
CID 107303273
4-[(1-amino-2,4-dimethylpentan-2-yl)amino]-3,5-difluorobenzonitrile
CID 115310173
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-bromobenzamide
CID 114894172
2-fluoro-1-N-(3-methylpentan-3-yl)benzene-1,4-diamine
CID 106327984
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310284
2-fluoro-N-(2-methylsulfanylethyl)-4-(trifluoromethyl)aniline
CID 103850214
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304222
2,4-dimethyl-2-N-(2-methylsulfonylphenyl)pentane-1,2-diamine
CID 115310076

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine (CID 107303842) is 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine?
The InChIKey is YLGGZYHQCCLUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2/c1-9(2)7-13(3,8-19)20-12-5-4-10(6-11(12)15)14(16,17)18/h4-6,9,20H,7-8,19H2,1-3H3.
What are the key properties of 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine?
2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine has a molecular weight of 292.32 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-fluoro-4-(trifluoromethyl)phenyl]-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 107303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).