6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine

C19H33NO — CID 83048538

IUPAC6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1c(C)cc(CCCCCCNCC(C)C)cc1C
InChIInChI=1S/C19H33NO/c1-15(2)14-20-11-9-7-6-8-10-18-12-16(3)19(21-5)17(4)13-18/h12-13,15,20H,6-11,14H2,1-5H3
InChIKeyLJIFADYNBZRMOO-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.66
Rot. Bonds10

About 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine

6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 83048538) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID83048538
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
SMILESCOc1c(C)cc(CCCCCCNCC(C)C)cc1C
InChIInChI=1S/C19H33NO/c1-15(2)14-20-11-9-7-6-8-10-18-12-16(3)19(21-5)17(4)13-18/h12-13,15,20H,6-11,14H2,1-5H3
InChIKeyLJIFADYNBZRMOO-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.66
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

5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303435
N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198805
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217828
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
N-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202794
3-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]propane-1,2-diol
CID 115122359
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670
6-(3,5-dimethylthiophen-2-yl)-N-(2-methylpropyl)hexan-1-amine
CID 81158945
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312
N-(2-methylpropyl)-6-(2,3,4,6-tetrachlorophenyl)hexan-1-amine
CID 105350446

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine (CID 83048538) is 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine is COc1c(C)cc(CCCCCCNCC(C)C)cc1C.
What is the InChIKey of 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is LJIFADYNBZRMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-15(2)14-20-11-9-7-6-8-10-18-12-16(3)19(21-5)17(4)13-18/h12-13,15,20H,6-11,14H2,1-5H3.
What are the key properties of 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine?
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 83048538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).