3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine

C16H27NO — CID 81015595

IUPAC3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)c1ccc(OC)cc1C
InChIInChI=1S/C16H27NO/c1-6-9-17-11-13(3)14(4)16-8-7-15(18-5)10-12(16)2/h7-8,10,13-14,17H,6,9,11H2,1-5H3
InChIKeyGAEGEFWAMMHDQL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds7

About 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine

3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 81015595) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID81015595
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)c1ccc(OC)cc1C
InChIInChI=1S/C16H27NO/c1-6-9-17-11-13(3)14(4)16-8-7-15(18-5)10-12(16)2/h7-8,10,13-14,17H,6,9,11H2,1-5H3
InChIKeyGAEGEFWAMMHDQL-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.74
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-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
2-[1-(4-methoxy-2-methylphenyl)ethyl]propane-1,3-diamine
CID 83936405
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(4-methoxy-2-methylphenyl)-2-methylpentan-1-amine
CID 43210161
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
2-fluoro-2-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 105426266
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
2-(3-methoxyphenoxy)-3-methyl-N-propylbutan-1-amine
CID 62454884
2-methoxy-1-(4-methoxy-2-methylphenyl)-N-propylpentan-1-amine
CID 116719567
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine (CID 81015595) is 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine is CCCNCC(C)C(C)c1ccc(OC)cc1C.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is GAEGEFWAMMHDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-9-17-11-13(3)14(4)16-8-7-15(18-5)10-12(16)2/h7-8,10,13-14,17H,6,9,11H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine?
3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 81015595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).