N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine

C14H23NO3 — CID 4105922

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)10-14(12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyJAMWTYWDSFGRGB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine

N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine (PubChem CID 4105922) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
PubChem CID4105922
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
SMILESCCOCCCNCc1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)10-14(12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3
InChIKeyJAMWTYWDSFGRGB-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
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]-N-ethylpropane-1,3-diamine
CID 17215620
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[3-[(2,4-dimethoxyphenyl)methylamino]propyl]methanesulfonamide
CID 103611740
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
1-(2,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)ethanol
CID 82315241
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine (CID 4105922) is N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine is CCOCCCNCc1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine?
The InChIKey is JAMWTYWDSFGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-18-9-5-8-15-11-12-6-7-13(16-2)10-14(12)17-3/h6-7,10,15H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine?
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine is sourced from PubChem (CID 4105922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).