2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C14H24N2O — CID 63070049

IUPAC2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCOC(CN)CN(C)Cc1ccccc1C
InChIInChI=1S/C14H24N2O/c1-4-17-14(9-15)11-16(3)10-13-8-6-5-7-12(13)2/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyAQPBAQAKSRWNBR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.79
Rot. Bonds7

About 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 63070049) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID63070049
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCOC(CN)CN(C)Cc1ccccc1C
InChIInChI=1S/C14H24N2O/c1-4-17-14(9-15)11-16(3)10-13-8-6-5-7-12(13)2/h5-8,14H,4,9-11,15H2,1-3H3
InChIKeyAQPBAQAKSRWNBR-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 61412120
2-methyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115665625
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
N'-[1-(2-chlorophenyl)ethyl]-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070244
4-ethoxy-3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 43574952
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 63619044
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 63070049) is 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is CCOC(CN)CN(C)Cc1ccccc1C.
What is the InChIKey of 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is AQPBAQAKSRWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-17-14(9-15)11-16(3)10-13-8-6-5-7-12(13)2/h5-8,14H,4,9-11,15H2,1-3H3.
What are the key properties of 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63070049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).