N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine

C14H23NO3 — CID 65369345

IUPACN-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCOCC
InChIInChI=1S/C14H23NO3/c1-4-8-15-10-12-6-7-13(16-3)9-14(12)18-11-17-5-2/h6-7,9,15H,4-5,8,10-11H2,1-3H3
InChIKeyXKWPONCRGVWSLX-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.57
Rot. Bonds9

About N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine

N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine (PubChem CID 65369345) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
PubChem CID65369345
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OCOCC
InChIInChI=1S/C14H23NO3/c1-4-8-15-10-12-6-7-13(16-3)9-14(12)18-11-17-5-2/h6-7,9,15H,4-5,8,10-11H2,1-3H3
InChIKeyXKWPONCRGVWSLX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[[4-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106449993
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168
N-[[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 103032736
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
methyl 4-[5-methoxy-2-(propylaminomethyl)phenoxy]butanoate
CID 61269092
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine (CID 65369345) is N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)cc1OCOCC.
What is the InChIKey of N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is XKWPONCRGVWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-8-15-10-12-6-7-13(16-3)9-14(12)18-11-17-5-2/h6-7,9,15H,4-5,8,10-11H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine?
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 65369345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).