N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine

C17H22N2 — CID 62555257

IUPACN'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-14-8-4-6-10-16(14)18-12-13-19(3)17-11-7-5-9-15(17)2/h4-11,18H,12-13H2,1-3H3
InChIKeySFCYMODLIPUBRL-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.85
Rot. Bonds5

About N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine

N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine (PubChem CID 62555257) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
PubChem CID62555257
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine
SMILESCc1ccccc1NCCN(C)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-14-8-4-6-10-16(14)18-12-13-19(3)17-11-7-5-9-15(17)2/h4-11,18H,12-13H2,1-3H3
InChIKeySFCYMODLIPUBRL-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diamino-N-(2-methylphenyl)ethane-1,2-diamine
CID 141424845
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
N,2-dimethyl-N-propylaniline
CID 69435269
N-tert-butyl-N'-methyl-N'-(2-methylphenyl)propane-1,3-diamine
CID 55069200
N'-methyl-N'-(2-methylphenyl)-N-pentylethane-1,2-diamine
CID 62554618
N'-methyl-N-(2-methylphenyl)-N'-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114238373
N'-ethyl-N,N-dimethyl-N'-[2-(2-methylanilino)ethyl]propane-1,3-diamine
CID 102997809
N-ethyl-N'-methyl-N'-(2-methylphenyl)pentane-1,5-diamine
CID 55072175
N'-methyl-N'-(2-methylphenyl)-N-propan-2-ylbutane-1,4-diamine
CID 55069248
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 55144815
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(2-methylphenyl)ethane-1,2-diamine
CID 62558966
N'-methyl-N-(2-methylphenyl)-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62561502

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine (CID 62555257) is N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine is Cc1ccccc1NCCN(C)c1ccccc1C.
What is the InChIKey of N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is SFCYMODLIPUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-8-4-6-10-16(14)18-12-13-19(3)17-11-7-5-9-15(17)2/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine?
N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N,N'-bis(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62555257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).