2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine

C15H26N2O — CID 115251473

IUPAC2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CNCc1ccc(OC)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-5-13(8-16)9-17-10-14-6-7-15(18-4)12(3)11(14)2/h6-7,13,17H,5,8-10,16H2,1-4H3
InChIKeyOADXZBRDSGBJSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds7

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

2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115251473) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine
PubChem CID115251473
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CNCc1ccc(OC)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-5-13(8-16)9-17-10-14-6-7-15(18-4)12(3)11(14)2/h6-7,13,17H,5,8-10,16H2,1-4H3
InChIKeyOADXZBRDSGBJSM-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
N'-[(5-tert-butyl-2-methylphenyl)methyl]-2-ethylpropane-1,3-diamine
CID 115251439
N'-(1-benzofuran-3-ylmethyl)-2-ethylpropane-1,3-diamine
CID 115251519
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
2-[(2,3-dichloro-4-methoxyphenyl)methyl]butan-1-amine
CID 116930931
2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198519
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine (CID 115251473) is 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine is CCC(CN)CNCc1ccc(OC)c(C)c1C.
What is the InChIKey of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is OADXZBRDSGBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(8-16)9-17-10-14-6-7-15(18-4)12(3)11(14)2/h6-7,13,17H,5,8-10,16H2,1-4H3.
What are the key properties of 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine?
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115251473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).