N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C15H24Cl2N2 — CID 114067768

IUPACN'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1c(Cl)cccc1CCl
InChIInChI=1S/C15H24Cl2N2/c1-12(2)11-19(9-8-18(3)4)15-13(10-16)6-5-7-14(15)17/h5-7,12H,8-11H2,1-4H3
InChIKeyDCFARTNEXCQDAT-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.10
Rot. Bonds7

About N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 114067768) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID114067768
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC NameN'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)c1c(Cl)cccc1CCl
InChIInChI=1S/C15H24Cl2N2/c1-12(2)11-19(9-8-18(3)4)15-13(10-16)6-5-7-14(15)17/h5-7,12H,8-11H2,1-4H3
InChIKeyDCFARTNEXCQDAT-UHFFFAOYSA-N
XLogP4.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-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

2,6-dichloro-1-N-[2-(dimethylamino)ethyl]-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 106890203
2-chloro-6-(chloromethyl)-N,N-bis(2-methoxyethyl)aniline
CID 114067710
N'-[6-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255713
N'-[3-chloro-5-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55008890
[3-chloro-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]phenyl]methanol
CID 81151916
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114067765
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 28946352
5-chloro-2-(chloromethyl)-N,N-bis(2-methylpropyl)aniline
CID 114846444
N'-(2,6-dichlorophenyl)-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 68797488
N'-[2-(1-aminopropyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115995090

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 114067768) is N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)c1c(Cl)cccc1CCl.
What is the InChIKey of N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DCFARTNEXCQDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-12(2)11-19(9-8-18(3)4)15-13(10-16)6-5-7-14(15)17/h5-7,12H,8-11H2,1-4H3.
What are the key properties of N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 303.28 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-6-(chloromethyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 114067768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).