3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine

C13H21NO2 — CID 106261296

IUPAC3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCOCCCNCCc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-15-11-5-9-14-10-8-12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyWHDOTVUALXRGJD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds8

About 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine

3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 106261296) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
PubChem CID106261296
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
SMILESCOCCCNCCc1ccccc1OC
InChIInChI=1S/C13H21NO2/c1-15-11-5-9-14-10-8-12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3
InChIKeyWHDOTVUALXRGJD-UHFFFAOYSA-N
XLogP1.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
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

3-[2-(2-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225180
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[2-(2,6-dimethoxyphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62572083
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine (CID 106261296) is 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine is COCCCNCCc1ccccc1OC.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is WHDOTVUALXRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-15-11-5-9-14-10-8-12-6-3-4-7-13(12)16-2/h3-4,6-7,14H,5,8-11H2,1-2H3.
What are the key properties of 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine?
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 106261296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).