1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine

C19H33NO — CID 115832136

IUPAC1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-13-12-16(3)19(15-17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3
InChIKeyFYIHBXGUHCWPMY-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.40
Rot. Bonds11

About 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine

1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine (PubChem CID 115832136) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
PubChem CID115832136
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-13-12-16(3)19(15-17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3
InChIKeyFYIHBXGUHCWPMY-UHFFFAOYSA-N
XLogP5.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(3-methoxy-4-methylphenyl)nonylhydrazine
CID 105294336
1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(4-methoxy-3-methylphenyl)-N-propylpropan-1-amine
CID 43498177
1-(3-chloro-4,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 63417042
1-(4-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028526

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine (CID 115832136) is 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine?
The InChIKey is FYIHBXGUHCWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-13-12-16(3)19(15-17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine?
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 115832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).