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

C15H25NO — CID 43487418

IUPAC1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-5-6-7-8-14(16-3)13-9-10-15(17-4)12(2)11-13/h9-11,14,16H,5-8H2,1-4H3
InChIKeyMKSRQYHDRNJCKZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.84
Rot. Bonds7

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

1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine (PubChem CID 43487418) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
PubChem CID43487418
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccc(OC)c(C)c1
InChIInChI=1S/C15H25NO/c1-5-6-7-8-14(16-3)13-9-10-15(17-4)12(2)11-13/h9-11,14,16H,5-8H2,1-4H3
InChIKeyMKSRQYHDRNJCKZ-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.84
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-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
1-(4-methoxy-3-methylphenyl)-N,5-dimethylhexan-1-amine
CID 83161919
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
2-(4-methoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 62132456
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
2-ethyl-1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487417
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine (CID 43487418) is 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
The InChIKey is MKSRQYHDRNJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-7-8-14(16-3)13-9-10-15(17-4)12(2)11-13/h9-11,14,16H,5-8H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine?
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 43487418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).