N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine

C12H20N2 — CID 28585840

IUPACN-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(C)c(NCCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-10-5-6-11(2)12(9-10)13-7-8-14(3)4/h5-6,9,13H,7-8H2,1-4H3
InChIKeyUYPWIYHBEKXIBB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.28
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine

N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28585840) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28585840
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1ccc(C)c(NCCN(C)C)c1
InChIInChI=1S/C12H20N2/c1-10-5-6-11(2)12(9-10)13-7-8-14(3)4/h5-6,9,13H,7-8H2,1-4H3
InChIKeyUYPWIYHBEKXIBB-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N-(5-iodo-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 130497985
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
6-N-[2-(dimethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112857450
N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 12666397
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
4-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109207345
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
N-[2-(2,5-dimethylanilino)ethyl]acetamide
CID 103604085
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine (CID 28585840) is N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine is Cc1ccc(C)c(NCCN(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UYPWIYHBEKXIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-5-6-11(2)12(9-10)13-7-8-14(3)4/h5-6,9,13H,7-8H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine?
N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28585840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).