4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine

C18H31NO2 — CID 105180730

IUPAC4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccccc1OCCC
InChIInChI=1S/C18H31NO2/c1-5-13-19-17(12-11-15(3)20-4)16-9-7-8-10-18(16)21-14-6-2/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyNSRNSSTXEPXMSE-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds11

About 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine

4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine (PubChem CID 105180730) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
PubChem CID105180730
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccccc1OCCC
InChIInChI=1S/C18H31NO2/c1-5-13-19-17(12-11-15(3)20-4)16-9-7-8-10-18(16)21-14-6-2/h7-10,15,17,19H,5-6,11-14H2,1-4H3
InChIKeyNSRNSSTXEPXMSE-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
3-methoxy-1-(2-propoxyphenyl)-N-propylpropan-1-amine
CID 104659966
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
[1-(2-ethoxyphenyl)-4-methoxypentyl]hydrazine
CID 105304415
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-[2-(2-propoxyethoxy)phenyl]-N-propylpropan-1-amine
CID 115995694
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine (CID 105180730) is 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1ccccc1OCCC.
What is the InChIKey of 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine?
The InChIKey is NSRNSSTXEPXMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-13-19-17(12-11-15(3)20-4)16-9-7-8-10-18(16)21-14-6-2/h7-10,15,17,19H,5-6,11-14H2,1-4H3.
What are the key properties of 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine?
4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-propoxyphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 105180730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).