3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine

C16H27NO2 — CID 104659966

IUPAC3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccccc1OCCC
InChIInChI=1S/C16H27NO2/c1-4-11-17-15(10-13-18-3)14-8-6-7-9-16(14)19-12-5-2/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyHMPCZLKGQLOBJC-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.55
Rot. Bonds10

About 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine

3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine (PubChem CID 104659966) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
PubChem CID104659966
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CCOC)c1ccccc1OCCC
InChIInChI=1S/C16H27NO2/c1-4-11-17-15(10-13-18-3)14-8-6-7-9-16(14)19-12-5-2/h6-9,15,17H,4-5,10-13H2,1-3H3
InChIKeyHMPCZLKGQLOBJC-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
2-ethyl-1-[2-(2-methoxyethoxy)phenyl]-N-propylbutan-1-amine
CID 105035375
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine (CID 104659966) is 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine is CCCNC(CCOC)c1ccccc1OCCC.
What is the InChIKey of 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is HMPCZLKGQLOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-11-17-15(10-13-18-3)14-8-6-7-9-16(14)19-12-5-2/h6-9,15,17H,4-5,10-13H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine?
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 104659966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).