1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine

C11H16F2N2 — CID 84752735

IUPAC1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
SMILESCN(C)C(C)(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-11(14,15(2)3)7-8-4-5-9(12)10(13)6-8/h4-6H,7,14H2,1-3H3
InChIKeyHPCQOWGPXKEKSS-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.74
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine

1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine (PubChem CID 84752735) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
PubChem CID84752735
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
SMILESCN(C)C(C)(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-11(14,15(2)3)7-8-4-5-9(12)10(13)6-8/h4-6H,7,14H2,1-3H3
InChIKeyHPCQOWGPXKEKSS-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-phenylpropan-2-amine
CID 82919895
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
1-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-2-amine
CID 82920377
1-(3,4-difluorophenyl)-2-piperidin-1-ylpropan-2-amine
CID 84748274
2-benzyl-1-(3,4-difluorophenyl)butan-2-amine
CID 82920189
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol
CID 84748173
3-amino-2-[(3,4-difluorophenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899920
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
3-(3,4-difluorophenyl)-2-hydroxy-2-methylpropanal
CID 82919795
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine (CID 84752735) is 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine is CN(C)C(C)(N)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
The InChIKey is HPCQOWGPXKEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-11(14,15(2)3)7-8-4-5-9(12)10(13)6-8/h4-6H,7,14H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine?
1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine is sourced from PubChem (CID 84752735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).