N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine

C18H24N2 — CID 63501684

IUPACN'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H24N2/c1-14-6-5-7-17(11-14)19-8-9-20(4)18-12-15(2)10-16(3)13-18/h5-7,10-13,19H,8-9H2,1-4H3
InChIKeyBVBWLLZTSKOWLD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.16
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine

N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 63501684) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID63501684
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCc1cccc(NCCN(C)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H24N2/c1-14-6-5-7-17(11-14)19-8-9-20(4)18-12-15(2)10-16(3)13-18/h5-7,10-13,19H,8-9H2,1-4H3
InChIKeyBVBWLLZTSKOWLD-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
N-(2-fluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62556023
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
N-(3,4-dimethylphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 54806214
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine (CID 63501684) is N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine is Cc1cccc(NCCN(C)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is BVBWLLZTSKOWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14-6-5-7-17(11-14)19-8-9-20(4)18-12-15(2)10-16(3)13-18/h5-7,10-13,19H,8-9H2,1-4H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine?
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63501684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).