2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

C16H27NO2 — CID 107852103

IUPAC2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCOc1cccc(CCNCCOCCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-14(2)8-11-19-12-10-17-9-7-15-5-4-6-16(13-15)18-3/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyAJDFBIIILQOSSG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds10

About 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine

2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (PubChem CID 107852103) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
PubChem CID107852103
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
SMILESCOc1cccc(CCNCCOCCC(C)C)c1
InChIInChI=1S/C16H27NO2/c1-14(2)8-11-19-12-10-17-9-7-15-5-4-6-16(13-15)18-3/h4-6,13-14,17H,7-12H2,1-3H3
InChIKeyAJDFBIIILQOSSG-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
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-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
3,3-diethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 107852059
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
N-[2-(3-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 103846287
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110979499
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 62565553
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 107852085

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine (CID 107852103) is 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is COc1cccc(CCNCCOCCC(C)C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
The InChIKey is AJDFBIIILQOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14(2)8-11-19-12-10-17-9-7-15-5-4-6-16(13-15)18-3/h4-6,13-14,17H,7-12H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine?
2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine is sourced from PubChem (CID 107852103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).