N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine

C16H17Cl3N2 — CID 63471932

IUPACN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl3N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyHVKSXAKYMPZWIY-UHFFFAOYSA-N
MW343.69 g/mol
LogP4.78
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine

N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine (PubChem CID 63471932) has the molecular formula C16H17Cl3N2 and a molecular weight of 343.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
PubChem CID63471932
Molecular FormulaC16H17Cl3N2
Molecular Weight343.69 g/mol
Exact Mass342.05
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1Cl)C(CN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl3N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3
InChIKeyHVKSXAKYMPZWIY-UHFFFAOYSA-N
XLogP4.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.69
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417147
1-(5-chloro-2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 114842940
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
CID 61416802
1-(2,4-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438696
1-(2,4-dichlorophenyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 55258811
1-(5-bromofuran-2-yl)-N-[(2-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61417281
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
N-[(2-bromophenyl)methyl]-1-(3-chlorophenyl)-N-methylethane-1,2-diamine
CID 61416664
N-[(2-chlorophenyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61417418
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine (CID 63471932) is N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine is CN(Cc1ccccc1Cl)C(CN)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is HVKSXAKYMPZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl3N2/c1-21(10-11-4-2-3-5-14(11)18)16(9-20)13-7-6-12(17)8-15(13)19/h2-8,16H,9-10,20H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine?
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 343.69 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63471932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).