1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine

C16H28N2 — CID 62390906

IUPAC1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCc1ccccc1C(CN)N(C)CC(C)CC
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(4)16(11-17)15-10-8-7-9-14(15)6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyQAIGBPSCXVHYNH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.23
Rot. Bonds7

About 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine

1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 62390906) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
PubChem CID62390906
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCc1ccccc1C(CN)N(C)CC(C)CC
InChIInChI=1S/C16H28N2/c1-5-13(3)12-18(4)16(11-17)15-10-8-7-9-14(15)6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3
InChIKeyQAIGBPSCXVHYNH-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206559
1-(2-ethylphenyl)-N,N-dipropylethane-1,2-diamine
CID 62390733
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 114842869
N-cycloheptyl-1-(2-ethylphenyl)-N-methylethane-1,2-diamine
CID 62413896
1-(2-chloro-3,4-dimethoxyphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 63630963
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 106528505
1-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]propan-2-ol
CID 62333644
N-methyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43295551
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709
N-methyl-N-(2-methylbutyl)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine
CID 43295528
3-[methyl(2-methylbutyl)amino]-3-phenylpropanethioamide
CID 62779626

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine (CID 62390906) is 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine is CCc1ccccc1C(CN)N(C)CC(C)CC.
What is the InChIKey of 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is QAIGBPSCXVHYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-13(3)12-18(4)16(11-17)15-10-8-7-9-14(15)6-2/h7-10,13,16H,5-6,11-12,17H2,1-4H3.
What are the key properties of 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine?
1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-methyl-N-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62390906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).