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

C16H19ClN2 — CID 28771738

IUPACN'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-5-2-3-6-14(13)12-19(10-9-18)16-8-4-7-15(17)11-16/h2-8,11H,9-10,12,18H2,1H3
InChIKeyIJPUVKVWZIFURI-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.61
Rot. Bonds5

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

N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 28771738) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID28771738
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCc1ccccc1CN(CCN)c1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2/c1-13-5-2-3-6-14(13)12-19(10-9-18)16-8-4-7-15(17)11-16/h2-8,11H,9-10,12,18H2,1H3
InChIKeyIJPUVKVWZIFURI-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'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N'-[(2-fluorophenyl)methyl]-N'-(2-methylphenyl)ethane-1,2-diamine
CID 28771222
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
N'-(3-chlorophenyl)-N'-propan-2-ylethane-1,2-diamine
CID 83821234
2-chloro-1-N-ethyl-1-N-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 43587745
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
4-chloro-2-[(2-methylphenyl)methyl]aniline
CID 105490375
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 4796698
3-[3-cyano-N-[(2-methylphenyl)methyl]anilino]propanoic acid
CID 82317487
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
3-chloro-N,N-bis(2-phenylethyl)aniline
CID 3851845

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 28771738) is N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is Cc1ccccc1CN(CCN)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is IJPUVKVWZIFURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-5-2-3-6-14(13)12-19(10-9-18)16-8-4-7-15(17)11-16/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
N'-(3-chlorophenyl)-N'-[(2-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'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 28771738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).