N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine

C13H21NO2 — CID 4717518

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C13H21NO2/c1-4-8-14-10-11-6-7-12(15-3)13(9-11)16-5-2/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyFEMAEJCFIGYBPR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 4717518) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID4717518
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)c(OCC)c1
InChIInChI=1S/C13H21NO2/c1-4-8-14-10-11-6-7-12(15-3)13(9-11)16-5-2/h6-7,9,14H,4-5,8,10H2,1-3H3
InChIKeyFEMAEJCFIGYBPR-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[[3-(3-ethoxypropoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65176289
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[(4-methoxy-3-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 60883199
6-[(3-ethoxy-4-methoxyphenyl)methylamino]hexan-1-ol
CID 103924096
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethyl carbamate
CID 83211785
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 60883012

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine (CID 4717518) is N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC)c(OCC)c1.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is FEMAEJCFIGYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-8-14-10-11-6-7-12(15-3)13(9-11)16-5-2/h6-7,9,14H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 4717518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).