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

C16H27NO2 — CID 83046234

IUPAC2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)OCc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-16(12-17-10-5-2)19-13-14-8-6-9-15(11-14)18-3/h6,8-9,11,16-17H,4-5,7,10,12-13H2,1-3H3
InChIKeyAODNCSBDOOTPJB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.38
Rot. Bonds10

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

2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine (PubChem CID 83046234) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
PubChem CID83046234
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCC(CCC)OCc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-7-16(12-17-10-5-2)19-13-14-8-6-9-15(11-14)18-3/h6,8-9,11,16-17H,4-5,7,10,12-13H2,1-3H3
InChIKeyAODNCSBDOOTPJB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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-ethyl-2-[(3-methoxyphenyl)methoxy]butan-1-amine
CID 55072812
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
2-[(3-methoxyphenyl)methoxy]pentanehydrazide
CID 83047753
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
2-[3-(methoxymethyl)phenoxy]pentan-1-amine
CID 83045465
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine (CID 83046234) is 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine is CCCNCC(CCC)OCc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine?
The InChIKey is AODNCSBDOOTPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-7-16(12-17-10-5-2)19-13-14-8-6-9-15(11-14)18-3/h6,8-9,11,16-17H,4-5,7,10,12-13H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine?
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 83046234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).