N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine

C10H15ClN2 — CID 28772652

IUPACN'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1ccc(N(C)CCN)cc1Cl
InChIInChI=1S/C10H15ClN2/c1-8-3-4-9(7-10(8)11)13(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyHYRMBSLXLRTFEL-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.04
Rot. Bonds3

About N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine

N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 28772652) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID28772652
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC NameN'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCc1ccc(N(C)CCN)cc1Cl
InChIInChI=1S/C10H15ClN2/c1-8-3-4-9(7-10(8)11)13(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyHYRMBSLXLRTFEL-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,4-dichlorophenyl)-N'-methylpropane-1,3-diamine
CID 28772810
3-chloro-N,N,4-trimethylaniline
CID 12637287
2-(3-chloro-N,4-dimethylanilino)acetonitrile
CID 82112115
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
(3-chloro-4-methylphenyl)-methylcyanamide
CID 117029380
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
1-(3-chloro-N,4-dimethylanilino)ethanol
CID 70441913
N'-(3,4-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203033
N'-(3,4-dimethylphenyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204769
N-(2-chloroethyl)-4-fluoro-N,3-dimethylaniline
CID 115214678

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine (CID 28772652) is N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine is Cc1ccc(N(C)CCN)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is HYRMBSLXLRTFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-8-3-4-9(7-10(8)11)13(2)6-5-12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine?
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 198.70 g/mol, XLogP of 2.04, 3 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)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 28772652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).