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

C14H24N2O — CID 63285263

IUPACN'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCOCCN(CCCN)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O/c1-13-5-3-6-14(11-13)12-16(8-4-7-15)9-10-17-2/h3,5-6,11H,4,7-10,12,15H2,1-2H3
InChIKeyXSFAFFMCGGTUER-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.79
Rot. Bonds8

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

N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 63285263) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
PubChem CID63285263
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
SMILESCOCCN(CCCN)Cc1cccc(C)c1
InChIInChI=1S/C14H24N2O/c1-13-5-3-6-14(11-13)12-16(8-4-7-15)9-10-17-2/h3,5-6,11H,4,7-10,12,15H2,1-2H3
InChIKeyXSFAFFMCGGTUER-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N'-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63287766
N'-[(4-ethylphenyl)methyl]-N'-(2-methoxyethyl)propane-1,3-diamine
CID 55170937
2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylphenyl)methyl]ethanamine
CID 112842027
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 39149176
N'-(2-methoxyphenyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine
CID 28770871
N-(2-chloroethyl)-N-[(3-methylphenyl)methyl]butan-1-amine
CID 63389178
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
3-[[bis(2-methoxyethyl)amino]methyl]benzaldehyde
CID 84758482
1-[3-methoxypropyl-[(3-methylphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24714136

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine (CID 63285263) is N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is COCCN(CCCN)Cc1cccc(C)c1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is XSFAFFMCGGTUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13-5-3-6-14(11-13)12-16(8-4-7-15)9-10-17-2/h3,5-6,11H,4,7-10,12,15H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-[(3-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63285263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).