1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine

C15H24F2N2 — CID 115524310

IUPAC1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
SMILESCN(CC(C)(C)C)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-15(2,3)10-19(4)13(9-18)11-5-7-12(8-6-11)14(16)17/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyBBUWVOZFRDZSDI-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine

1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine (PubChem CID 115524310) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
PubChem CID115524310
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine
SMILESCN(CC(C)(C)C)C(CN)c1ccc(C(F)F)cc1
InChIInChI=1S/C15H24F2N2/c1-15(2,3)10-19(4)13(9-18)11-5-7-12(8-6-11)14(16)17/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyBBUWVOZFRDZSDI-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79385181
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
1-[4-(difluoromethyl)phenyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)ethane-1,2-diamine
CID 115985634
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-[3-(difluoromethyl)phenyl]-N-methyl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 115526957
N'-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693245
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384268

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine (CID 115524310) is 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine is CN(CC(C)(C)C)C(CN)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
The InChIKey is BBUWVOZFRDZSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-15(2,3)10-19(4)13(9-18)11-5-7-12(8-6-11)14(16)17/h5-8,13-14H,9-10,18H2,1-4H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine?
1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-N-(2,2-dimethylpropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 115524310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).