1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine

C15H24F2N2 — CID 116790104

IUPAC1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C15H24F2N2/c1-12(2)14(18)9-10-19(3)11-15(16,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,18H2,1-3H3
InChIKeyMCAXWOXCBJFTBN-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.08
Rot. Bonds7

About 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine

1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 116790104) has the molecular formula C15H24F2N2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
PubChem CID116790104
Molecular FormulaC15H24F2N2
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CC(F)(F)c1ccccc1
InChIInChI=1S/C15H24F2N2/c1-12(2)14(18)9-10-19(3)11-15(16,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,18H2,1-3H3
InChIKeyMCAXWOXCBJFTBN-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
2-[(2,2-difluoro-2-phenylethyl)-methylamino]ethanethioamide
CID 116789418
1-N-methyl-1-N-(3-methylbutyl)-2-phenylpropane-1,2-diamine
CID 62487909
N-(3-amino-4-methylpentyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 119992166
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
1-bromo-N-(2,2-difluoro-2-phenylethyl)-N-methylpropan-2-amine
CID 116790603
N'-(2,2-difluoro-2-phenylethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 116789654
5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
CID 116790326
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
CID 114496644
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
2-[(2,2-difluoro-2-phenylethyl)-methylamino]propanenitrile
CID 116789388
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine (CID 116790104) is 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)CC(F)(F)c1ccccc1.
What is the InChIKey of 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is MCAXWOXCBJFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2/c1-12(2)14(18)9-10-19(3)11-15(16,17)13-7-5-4-6-8-13/h4-8,12,14H,9-11,18H2,1-3H3.
What are the key properties of 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine?
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 270.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 116790104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).