N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine

C16H28N2 — CID 115251716

IUPACN'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2/c1-5-15(11-17)12-18(4)9-8-16-7-6-13(2)14(3)10-16/h6-7,10,15H,5,8-9,11-12,17H2,1-4H3
InChIKeyXBNDPCHQOKNRQK-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.76
Rot. Bonds7

About N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine

N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115251716) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115251716
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)CCc1ccc(C)c(C)c1
InChIInChI=1S/C16H28N2/c1-5-15(11-17)12-18(4)9-8-16-7-6-13(2)14(3)10-16/h6-7,10,15H,5,8-9,11-12,17H2,1-4H3
InChIKeyXBNDPCHQOKNRQK-UHFFFAOYSA-N
XLogP2.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251725
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
2-(aminomethyl)-N-[2-(3,4-dimethylphenyl)ethyl]-N-methylbutanamide
CID 115187078
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
2-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251726
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115251583
N'-[2-(4-bromothiophen-2-yl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251744
1-[2-(3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168593
2-ethyl-N-[2-(4-ethylphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 115255184

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115251716) is N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)CCc1ccc(C)c(C)c1.
What is the InChIKey of N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is XBNDPCHQOKNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-15(11-17)12-18(4)9-8-16-7-6-13(2)14(3)10-16/h6-7,10,15H,5,8-9,11-12,17H2,1-4H3.
What are the key properties of N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).