N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine

C18H23ClN2 — CID 63503138

IUPACN'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H23ClN2/c1-14-7-9-18(10-8-14)20-11-12-21(3)15(2)16-5-4-6-17(19)13-16/h4-10,13,15,20H,11-12H2,1-3H3
InChIKeyBTBWCAIZQICLPK-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.75
Rot. Bonds6

About N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine

N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63503138) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63503138
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC NameN'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(NCCN(C)C(C)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H23ClN2/c1-14-7-9-18(10-8-14)20-11-12-21(3)15(2)16-5-4-6-17(19)13-16/h4-10,13,15,20H,11-12H2,1-3H3
InChIKeyBTBWCAIZQICLPK-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(3-chlorophenyl)ethyl]-N-(3,3-dimethylbutyl)-N'-methylethane-1,2-diamine
CID 63503143
4-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylbutan-2-ol
CID 79326810
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62985460
N-(3-chlorophenyl)-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 62560444
N'-[1-(3-chlorophenyl)ethyl]-N-(cyclohexylmethyl)-N'-methylethane-1,2-diamine
CID 63503142
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
N'-[1-(3-chlorophenyl)ethyl]-N'-methylheptane-1,7-diamine
CID 62985951
1-N-[1-(3-chlorophenyl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490356
N'-[1-(3-chlorophenyl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 81080490
5-[1-(3-chlorophenyl)ethyl-methylamino]pentan-2-one
CID 62980413
4-[2-[1-(3-chlorophenyl)ethyl-methylamino]ethyl]aniline
CID 62979290
N-[1-(3-chlorophenyl)ethyl]-3,3-diethoxy-N-methylpropan-1-amine
CID 63630291

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine (CID 63503138) is N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(NCCN(C)C(C)c2cccc(Cl)c2)cc1.
What is the InChIKey of N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is BTBWCAIZQICLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-14-7-9-18(10-8-14)20-11-12-21(3)15(2)16-5-4-6-17(19)13-16/h4-10,13,15,20H,11-12H2,1-3H3.
What are the key properties of N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine?
N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 302.85 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63503138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).