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

C16H19ClN2 — CID 39373844

IUPACN'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-13-7-8-15(11-16(13)17)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3
InChIKeyHTBOZHJEXDWMHD-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.61
Rot. Bonds5

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

N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine (PubChem CID 39373844) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
PubChem CID39373844
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H19ClN2/c1-13-7-8-15(11-16(13)17)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3
InChIKeyHTBOZHJEXDWMHD-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-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N'-(3-chloro-4-methylphenyl)-N'-methylethane-1,2-diamine
CID 28772652
N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
CID 71724240
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
4-N-benzyl-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587676
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
N'-(2-chlorophenyl)-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 28771686
N'-(3-chlorophenyl)-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 28771738
N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 28771619

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine (CID 39373844) is N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(CCN)Cc2ccccc2)cc1Cl.
What is the InChIKey of N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HTBOZHJEXDWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-7-8-15(11-16(13)17)19(10-9-18)12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine?
N'-benzyl-N'-(3-chloro-4-methylphenyl)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'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 39373844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).