N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine

C14H24N2O2 — CID 115197854

IUPACN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O2/c1-11-8-13(17-3)14(18-4)9-12(11)10-16-7-5-6-15-2/h8-9,15-16H,5-7,10H2,1-4H3
InChIKeyWZUSEKUUCPEXFG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.71
Rot. Bonds8

About N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine

N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine (PubChem CID 115197854) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
PubChem CID115197854
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H24N2O2/c1-11-8-13(17-3)14(18-4)9-12(11)10-16-7-5-6-15-2/h8-9,15-16H,5-7,10H2,1-4H3
InChIKeyWZUSEKUUCPEXFG-UHFFFAOYSA-N
XLogP1.71
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201222
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
N-methyl-N'-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 115197882
N'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
N'-[(2-methoxy-4-propan-2-ylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197846
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013
N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
N'-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 66538159

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine (CID 115197854) is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1cc(OC)c(OC)cc1C.
What is the InChIKey of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine?
The InChIKey is WZUSEKUUCPEXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-8-13(17-3)14(18-4)9-12(11)10-16-7-5-6-15-2/h8-9,15-16H,5-7,10H2,1-4H3.
What are the key properties of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine?
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 115197854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).