N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine

C14H24N2O2 — CID 19926627

IUPACN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-15-8-4-9-16-10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11,15-16H,4,7-10H2,1-3H3
InChIKeyCWMSXVNGXKCAMI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds9

About N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine

N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine (PubChem CID 19926627) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
PubChem CID19926627
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H24N2O2/c1-15-8-4-9-16-10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11,15-16H,4,7-10H2,1-3H3
InChIKeyCWMSXVNGXKCAMI-UHFFFAOYSA-N
XLogP1.45
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
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'-[(3,4-dimethoxyphenyl)methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17294501
methyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 43377806
N-[2-(4-aminophenyl)ethyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;trihydrochloride
CID 70044329
N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
CID 44522466
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexane-1,6-diamine;hydrochloride
CID 44522461
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N'-hydroxypentanimidamide
CID 77025166
N'-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-N-methylethane-1,2-diamine
CID 115195968
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
1-chloro-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-ol
CID 151046701

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine (CID 19926627) is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine is CNCCCNCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine?
The InChIKey is CWMSXVNGXKCAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-8-4-9-16-10-7-12-5-6-13(17-2)14(11-12)18-3/h5-6,11,15-16H,4,7-10H2,1-3H3.
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine?
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 19926627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).