N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

C12H20Cl2N2 — CID 120843633

IUPACN'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H19ClN2.ClH/c1-10-4-5-11(8-12(10)13)9-15(3)7-6-14-2;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyPHZTYDWQTSFXGS-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.72
Rot. Bonds5

About N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 120843633) has the molecular formula C12H20Cl2N2 and a molecular weight of 263.21 g/mol. Its IUPAC name is N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID120843633
Molecular FormulaC12H20Cl2N2
Molecular Weight263.21 g/mol
Exact Mass262.10
IUPAC NameN'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C12H19ClN2.ClH/c1-10-4-5-11(8-12(10)13)9-15(3)7-6-14-2;/h4-5,8,14H,6-7,9H2,1-3H3;1H
InChIKeyPHZTYDWQTSFXGS-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3-methoxy-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843594
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397
2-chloro-4-[(3-chloro-4-methylphenyl)methyl]-1-methylbenzene;ethane
CID 144609409
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
N'-[(3,4-dichlorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591895
N'-[(3,5-dibromophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 107972041
N'-[(4-chloro-3-nitrophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 113335448
N'-[2-[[(3-chloro-4-methylphenyl)methyl-methylamino]methyl]quinazolin-4-yl]-N-methylpropane-1,3-diamine
CID 143396502
N'-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843682
N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
N'-(5-chloro-2-methoxy-4-methylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96674694
N'-[(3-chlorophenyl)methyl]-N,N'-dimethylpentane-1,5-diamine
CID 62428888

Frequently Asked Questions

What is the IUPAC name of N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 120843633) is N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1ccc(C)c(Cl)c1.Cl.
What is the InChIKey of N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is PHZTYDWQTSFXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2.ClH/c1-10-4-5-11(8-12(10)13)9-15(3)7-6-14-2;/h4-5,8,14H,6-7,9H2,1-3H3;1H.
What are the key properties of N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 263.21 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120843633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).