N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine

C14H24N2O2 — CID 17215620

IUPACN'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-4-15-8-5-9-16-11-12-6-7-13(17-2)10-14(12)18-3/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3
InChIKeyPOOKSFQOJLUVJO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.79
Rot. Bonds9

About N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine

N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine (PubChem CID 17215620) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
PubChem CID17215620
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
SMILESCCNCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H24N2O2/c1-4-15-8-5-9-16-11-12-6-7-13(17-2)10-14(12)18-3/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3
InChIKeyPOOKSFQOJLUVJO-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[3-[(2,4-dimethoxyphenyl)methylamino]propyl]methanesulfonamide
CID 103611740
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
N-[(2,4-dimethoxyphenyl)methyl]-2-propylsulfonylethanamine
CID 106723733

Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine (CID 17215620) is N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine is CCNCCCNCc1ccc(OC)cc1OC.
What is the InChIKey of N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine?
The InChIKey is POOKSFQOJLUVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-15-8-5-9-16-11-12-6-7-13(17-2)10-14(12)18-3/h6-7,10,15-16H,4-5,8-9,11H2,1-3H3.
What are the key properties of N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine?
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 17215620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).