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

C12H19ClN2 — CID 103102286

IUPACN'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H19ClN2/c1-3-15(7-6-14)9-11-4-5-12(13)10(2)8-11/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyFINITUDWJJBBOW-UHFFFAOYSA-N
MW226.75 g/mol
LogP2.43
Rot. Bonds5

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

N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102286) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102286
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC NameN'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(Cl)c(C)c1
InChIInChI=1S/C12H19ClN2/c1-3-15(7-6-14)9-11-4-5-12(13)10(2)8-11/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyFINITUDWJJBBOW-UHFFFAOYSA-N
XLogP2.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
CID 107887497
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
CID 154733830
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
4-[[(4-chlorophenyl)methyl-ethylamino]methyl]-2-methylphenol
CID 142139142

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103102286) is N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1ccc(Cl)c(C)c1.
What is the InChIKey of N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is FINITUDWJJBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-15(7-6-14)9-11-4-5-12(13)10(2)8-11/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 226.75 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).