2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine

C17H30N2O — CID 103225832

IUPAC2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CNCC(C)C)COC
InChIInChI=1S/C17H30N2O/c1-6-19(16-9-7-8-15(4)10-16)17(13-20-5)12-18-11-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyAOMCCORINYQMCG-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.08
Rot. Bonds9

About 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 103225832) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID103225832
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(CNCC(C)C)COC
InChIInChI=1S/C17H30N2O/c1-6-19(16-9-7-8-15(4)10-16)17(13-20-5)12-18-11-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3
InChIKeyAOMCCORINYQMCG-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
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CID 70633161
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CID 21484944
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
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CID 82982263

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine (CID 103225832) is 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine is CCN(c1cccc(C)c1)C(CNCC(C)C)COC.
What is the InChIKey of 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is AOMCCORINYQMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-19(16-9-7-8-15(4)10-16)17(13-20-5)12-18-11-14(2)3/h7-10,14,17-18H,6,11-13H2,1-5H3.
What are the key properties of 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 103225832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).