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

C18H23ClN2 — CID 106313080

IUPACN'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2/c1-13-4-6-16(7-5-13)18(20)12-21(3)14(2)15-8-10-17(19)11-9-15/h4-11,14,18H,12,20H2,1-3H3
InChIKeyDIBJMOLYYRMRRO-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.34
Rot. Bonds5

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

N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 106313080) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID106313080
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H23ClN2/c1-13-4-6-16(7-5-13)18(20)12-21(3)14(2)15-8-10-17(19)11-9-15/h4-11,14,18H,12,20H2,1-3H3
InChIKeyDIBJMOLYYRMRRO-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 62978006
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
3-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 55149256
N'-[1-(4-chlorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 114145294
N'-methyl-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62617690
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
(1S)-N-ethyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 118026515
2-(4-chlorophenyl)-N,N-dimethyl-2-(4-methylphenyl)ethanamine
CID 143374115
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine (CID 106313080) is N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is DIBJMOLYYRMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-13-4-6-16(7-5-13)18(20)12-21(3)14(2)15-8-10-17(19)11-9-15/h4-11,14,18H,12,20H2,1-3H3.
What are the key properties of N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine?
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106313080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).