N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine

C13H22N2 — CID 61348360

IUPACN'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H22N2/c1-4-15(6-5-14)10-13-8-11(2)7-12(3)9-13/h7-9H,4-6,10,14H2,1-3H3
InChIKeyBWSGWHQAAIDEMR-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.08
Rot. Bonds5

About N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 61348360) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID61348360
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)cc(C)c1
InChIInChI=1S/C13H22N2/c1-4-15(6-5-14)10-13-8-11(2)7-12(3)9-13/h7-9H,4-6,10,14H2,1-3H3
InChIKeyBWSGWHQAAIDEMR-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 54898747
N'-[(2-bromo-5-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102194
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
CID 103102095
N'-ethyl-N'-[(3-iodophenyl)methyl]ethane-1,2-diamine
CID 154733830
N'-ethyl-N'-[(5-iodothiophen-3-yl)methyl]ethane-1,2-diamine
CID 103102067
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
4-[[(3,5-dimethylphenyl)methyl-propylamino]methyl]aniline
CID 61029995
N'-ethyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 103102209
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 61348360) is N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cc(C)cc(C)c1.
What is the InChIKey of N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is BWSGWHQAAIDEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(6-5-14)10-13-8-11(2)7-12(3)9-13/h7-9H,4-6,10,14H2,1-3H3.
What are the key properties of N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.08, 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)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 61348360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).