1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine

C16H27NO2 — CID 114752343

IUPAC1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-9-15(17-2)14-11-10-13(18-3)12-16(14)19-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyPUQUVJIPKSHTAA-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.93
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine

1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine (PubChem CID 114752343) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
PubChem CID114752343
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO2/c1-5-6-7-8-9-15(17-2)14-11-10-13(18-3)12-16(14)19-4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyPUQUVJIPKSHTAA-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-methyloctan-1-amine
CID 43481978
1-(2-methoxy-4-methylphenyl)-N-methyldecan-1-amine
CID 106791994
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(2-chloro-4-methoxyphenyl)-N-methylheptan-1-amine
CID 114752463
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-(2,4-dimethoxyphenyl)-N-methyl-2-pentan-2-yloxyethanamine
CID 102981296
N-methyl-1-(2,3,4-trimethoxyphenyl)hexan-1-amine
CID 43589032
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(4,5-dimethoxy-2-methylphenyl)-N-methyloctan-1-amine
CID 43626724
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(5-bromo-2-methoxyphenyl)-N-methylnonan-1-amine
CID 65448568

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine (CID 114752343) is 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine?
The InChIKey is PUQUVJIPKSHTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-8-9-15(17-2)14-11-10-13(18-3)12-16(14)19-4/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine?
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 114752343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).