N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine

C16H19ClN2 — CID 28771400

IUPACN'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2/c1-13-2-8-16(9-3-13)19(11-10-18)12-14-4-6-15(17)7-5-14/h2-9H,10-12,18H2,1H3
InChIKeyLRNYYFACZPYZTN-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.61
Rot. Bonds5

About N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine

N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 28771400) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID28771400
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC NameN'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(N(CCN)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2/c1-13-2-8-16(9-3-13)19(11-10-18)12-14-4-6-15(17)7-5-14/h2-9H,10-12,18H2,1H3
InChIKeyLRNYYFACZPYZTN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 28771619
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
1-chloro-4-methylbenzene;4-methyl-N,N-dipropylaniline
CID 142864428
N'-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 39373844
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
3-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]propanamide
CID 24561175
2-chloro-N-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39443965
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine (CID 28771400) is N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(N(CCN)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is LRNYYFACZPYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-13-2-8-16(9-3-13)19(11-10-18)12-14-4-6-15(17)7-5-14/h2-9H,10-12,18H2,1H3.
What are the key properties of N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine?
N'-[(4-chlorophenyl)methyl]-N'-(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'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 28771400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).