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

C12H18F2N2 — CID 115199918

IUPACN'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-12(2,7-15)8-16(3)11-5-4-9(13)6-10(11)14/h4-6H,7-8,15H2,1-3H3
InChIKeyPICYMQQRWSAZFT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.39
Rot. Bonds4

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

N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 115199918) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID115199918
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CC(C)(C)CN)c1ccc(F)cc1F
InChIInChI=1S/C12H18F2N2/c1-12(2,7-15)8-16(3)11-5-4-9(13)6-10(11)14/h4-6H,7-8,15H2,1-3H3
InChIKeyPICYMQQRWSAZFT-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
N'-(4-tert-butyl-2-methylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199944
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658
N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 115200256
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
CID 79652666
N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928811
N'-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-N'-methylethane-1,2-diamine
CID 62891099
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 79652711
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine (CID 115199918) is N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine is CN(CC(C)(C)CN)c1ccc(F)cc1F.
What is the InChIKey of N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is PICYMQQRWSAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-12(2,7-15)8-16(3)11-5-4-9(13)6-10(11)14/h4-6H,7-8,15H2,1-3H3.
What are the key properties of N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115199918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).