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

C19H33NO — CID 115826522

IUPAC1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
SMILESCCCCCCC(Cc1cc(C)ccc1OC)NCCC
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-18(20-13-6-2)15-17-14-16(3)11-12-19(17)21-4/h11-12,14,18,20H,5-10,13,15H2,1-4H3
InChIKeyJOCANOYOAWMKLS-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.88
Rot. Bonds11

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

1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine (PubChem CID 115826522) 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-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
PubChem CID115826522
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
SMILESCCCCCCC(Cc1cc(C)ccc1OC)NCCC
InChIInChI=1S/C19H33NO/c1-5-7-8-9-10-18(20-13-6-2)15-17-14-16(3)11-12-19(17)21-4/h11-12,14,18,20H,5-10,13,15H2,1-4H3
InChIKeyJOCANOYOAWMKLS-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.88
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)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
1-(2-methoxy-5-methylphenyl)undecan-2-amine
CID 115826519
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
1-cyclobutyl-3-(2-methoxy-5-methylphenyl)-N-propylpropan-2-amine
CID 103168378
1-(2-methoxy-5-methylphenyl)-N-propyloctan-1-amine
CID 43626415
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
N-[(2-methoxy-5-methylphenyl)methyl]hexan-2-amine
CID 62199273
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine (CID 115826522) is 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine is CCCCCCC(Cc1cc(C)ccc1OC)NCCC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine?
The InChIKey is JOCANOYOAWMKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-7-8-9-10-18(20-13-6-2)15-17-14-16(3)11-12-19(17)21-4/h11-12,14,18,20H,5-10,13,15H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine?
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.88, 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-2-amine is sourced from PubChem (CID 115826522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).