1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine

C19H33NO — CID 43626415

IUPAC1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)ccc1OC
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-15-16(3)12-13-19(17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3
InChIKeyHAYCXEPNPMEHJC-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.40
Rot. Bonds11

About 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine

1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine (PubChem CID 43626415) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
PubChem CID43626415
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1cc(C)ccc1OC
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-15-16(3)12-13-19(17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3
InChIKeyHAYCXEPNPMEHJC-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-(2-methoxy-5-methylphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115850153
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
1-(2-ethoxy-5-methylphenyl)-N-ethylheptan-1-amine
CID 114752520
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine (CID 43626415) is 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine?
The InChIKey is HAYCXEPNPMEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-11-18(20-14-6-2)17-15-16(3)12-13-19(17)21-4/h12-13,15,18,20H,5-11,14H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine?
1-(2-methoxy-5-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-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine is sourced from PubChem (CID 43626415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).