4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine

C19H33NO — CID 105188062

IUPAC4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H33NO/c1-6-12-20-19(11-10-16(4)21-5)18-9-7-8-17(14-18)13-15(2)3/h7-9,14-16,19-20H,6,10-13H2,1-5H3
InChIKeyISWVLDQJTYEPBJ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.74
Rot. Bonds10

About 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine

4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine (PubChem CID 105188062) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
PubChem CID105188062
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)OC)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H33NO/c1-6-12-20-19(11-10-16(4)21-5)18-9-7-8-17(14-18)13-15(2)3/h7-9,14-16,19-20H,6,10-13H2,1-5H3
InChIKeyISWVLDQJTYEPBJ-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105173198
N-[2-ethoxy-1-[3-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 116544588
1-(3,4-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105140268
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-(3-chlorophenyl)-5-methoxy-N-propylhexan-2-amine
CID 105085865
[1-(3-ethylphenyl)-4-methoxypentyl]hydrazine
CID 105326321
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-ethyl-3-methoxy-3-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 103029466
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine (CID 105188062) is 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine is CCCNC(CCC(C)OC)c1cccc(CC(C)C)c1.
What is the InChIKey of 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine?
The InChIKey is ISWVLDQJTYEPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-6-12-20-19(11-10-16(4)21-5)18-9-7-8-17(14-18)13-15(2)3/h7-9,14-16,19-20H,6,10-13H2,1-5H3.
What are the key properties of 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine?
4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[3-(2-methylpropyl)phenyl]-N-propylpentan-1-amine is sourced from PubChem (CID 105188062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).