N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

C16H19ClN2 — CID 28771686

IUPACN'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)c2ccccc2Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-5-4-6-14(11-13)12-19(10-9-18)16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,18H2,1H3
InChIKeyMEYPQNWWLHIXHH-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.61
Rot. Bonds5

About N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine

N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 28771686) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID28771686
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(CCN)c2ccccc2Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-5-4-6-14(11-13)12-19(10-9-18)16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,18H2,1H3
InChIKeyMEYPQNWWLHIXHH-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N'-(2-chlorophenyl)propane-1,3-diamine
CID 28770789
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39372088
3-chloro-N-methyl-2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]aniline
CID 61411575
N-(2-chlorophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503615
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine (CID 28771686) is N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(CCN)c2ccccc2Cl)c1.
What is the InChIKey of N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is MEYPQNWWLHIXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-5-4-6-14(11-13)12-19(10-9-18)16-8-3-2-7-15(16)17/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine?
N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 274.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 28771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).