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

C16H27NO — CID 115833459

IUPAC1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-15(17-3)14-11-10-13(2)16(12-14)18-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyLRVHNHBZGAZHII-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.23
Rot. Bonds8

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

1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine (PubChem CID 115833459) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
PubChem CID115833459
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-15(17-3)14-11-10-13(2)16(12-14)18-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyLRVHNHBZGAZHII-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.23
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)nonylhydrazine
CID 105294336
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(4-methoxy-3-methylphenyl)-N-methylhexan-1-amine
CID 43487418
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(3-fluoro-4-methylphenyl)-N-methyldecan-1-amine
CID 63413701
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(4-chloro-3-methoxyphenyl)-N-methylpentan-1-amine
CID 79697774
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
1-(4-bromo-3-methylphenyl)-N-methylhexan-1-amine
CID 115837445

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine (CID 115833459) is 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine?
The InChIKey is LRVHNHBZGAZHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-8-9-15(17-3)14-11-10-13(2)16(12-14)18-4/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine?
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.23, 8 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-methylheptan-1-amine is sourced from PubChem (CID 115833459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).