3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine

C12H18F2N2 — CID 115134569

IUPAC3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1ccc(F)c(F)c1)C(C)(C)CCN
InChIInChI=1S/C12H18F2N2/c1-12(2,6-7-15)16(3)9-4-5-10(13)11(14)8-9/h4-5,8H,6-7,15H2,1-3H3
InChIKeyNYSNLERFTJRCFR-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.53
Rot. Bonds4

About 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine

3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine (PubChem CID 115134569) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
PubChem CID115134569
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
SMILESCN(c1ccc(F)c(F)c1)C(C)(C)CCN
InChIInChI=1S/C12H18F2N2/c1-12(2,6-7-15)16(3)9-4-5-10(13)11(14)8-9/h4-5,8H,6-7,15H2,1-3H3
InChIKeyNYSNLERFTJRCFR-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-chloro-4-fluorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134602
3-N-(4-chlorophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134535
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
methyl 2-(3,4-difluoro-N-methylanilino)-2-methylpropanoate
CID 115128358
3-N,3-dimethyl-3-N-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine
CID 115134610
4-amino-1-(3,4-difluoro-N-methylanilino)butan-2-ol
CID 117039096
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
3-N-[2-(5-bromo-2-fluorophenyl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135034
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
CID 115156948

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine (CID 115134569) is 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine is CN(c1ccc(F)c(F)c1)C(C)(C)CCN.
What is the InChIKey of 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
The InChIKey is NYSNLERFTJRCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-12(2,6-7-15)16(3)9-4-5-10(13)11(14)8-9/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine?
3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-difluorophenyl)-3-N,3-dimethylbutane-1,3-diamine is sourced from PubChem (CID 115134569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).