N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine

C14H22F2N2 — CID 115200256

IUPACN'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCc1cc(F)ccc1F)CC(C)(C)CN
InChIInChI=1S/C14H22F2N2/c1-14(2,9-17)10-18(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8H,6-7,9-10,17H2,1-3H3
InChIKeyWZCDXDAMJKOLSC-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.42
Rot. Bonds6

About N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 115200256) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID115200256
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(CCc1cc(F)ccc1F)CC(C)(C)CN
InChIInChI=1S/C14H22F2N2/c1-14(2,9-17)10-18(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8H,6-7,9-10,17H2,1-3H3
InChIKeyWZCDXDAMJKOLSC-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
3-[2-(5-bromo-2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135545
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
N'-[1-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928811
2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
CID 84590802
N'-[(2,4-difluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660658

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine (CID 115200256) is N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine is CN(CCc1cc(F)ccc1F)CC(C)(C)CN.
What is the InChIKey of N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is WZCDXDAMJKOLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-14(2,9-17)10-18(3)7-6-11-8-12(15)4-5-13(11)16/h4-5,8H,6-7,9-10,17H2,1-3H3.
What are the key properties of N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-difluorophenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 115200256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).