4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine

C18H31NO2 — CID 105170923

IUPAC4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccccc1OC(C)C
InChIInChI=1S/C18H31NO2/c1-6-13-19-17(12-11-15(4)20-5)16-9-7-8-10-18(16)21-14(2)3/h7-10,14-15,17,19H,6,11-13H2,1-5H3
InChIKeySTWDDBJIGFJPKK-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.33
Rot. Bonds10

About 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine

4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine (PubChem CID 105170923) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
PubChem CID105170923
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1ccccc1OC(C)C
InChIInChI=1S/C18H31NO2/c1-6-13-19-17(12-11-15(4)20-5)16-9-7-8-10-18(16)21-14(2)3/h7-10,14-15,17,19H,6,11-13H2,1-5H3
InChIKeySTWDDBJIGFJPKK-UHFFFAOYSA-N
XLogP4.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-propoxyphenyl)-N-propylpentan-1-amine
CID 105180730
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
4-methoxy-1-(2-propan-2-yloxyphenyl)pentan-1-ol
CID 105116940
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
3-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105171033
[1-(2-ethoxyphenyl)-4-methoxypentyl]hydrazine
CID 105304415
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine (CID 105170923) is 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1ccccc1OC(C)C.
What is the InChIKey of 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
The InChIKey is STWDDBJIGFJPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-13-19-17(12-11-15(4)20-5)16-9-7-8-10-18(16)21-14(2)3/h7-10,14-15,17,19H,6,11-13H2,1-5H3.
What are the key properties of 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine?
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 105170923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).