2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine

C16H28N2O — CID 115251353

IUPAC2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-7-14(9-17)10-18(5)15-8-11(2)16(19-6)13(4)12(15)3/h8,14H,7,9-10,17H2,1-6H3
InChIKeyPIRPZMSKKAJIQR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds6

About 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine

2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 115251353) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID115251353
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)c1cc(C)c(OC)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-7-14(9-17)10-18(5)15-8-11(2)16(19-6)13(4)12(15)3/h8,14H,7,9-10,17H2,1-6H3
InChIKeyPIRPZMSKKAJIQR-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxy-N,2,3,5-tetramethylanilino)acetate
CID 115257305
2-N-(4-methoxy-2,3,5-trimethylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131786
2-(4-methoxy-N,2,3,5-tetramethylanilino)ethanethiol
CID 115223814
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
N'-(2,5-difluoro-4-methoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251390
2-(4-methoxy-N,2,3,5-tetramethylanilino)acetonitrile
CID 115130861
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
2-[(2-methoxy-N,3,4,6-tetramethylanilino)methyl]butan-1-ol
CID 115250728
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
2-N-(4-methoxy-2,3,5-trimethylphenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132578
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]butan-1-amine
CID 62505902

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine (CID 115251353) is 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)c1cc(C)c(OC)c(C)c1C.
What is the InChIKey of 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is PIRPZMSKKAJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-14(9-17)10-18(5)15-8-11(2)16(19-6)13(4)12(15)3/h8,14H,7,9-10,17H2,1-6H3.
What are the key properties of 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine?
2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(4-methoxy-2,3,5-trimethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).