1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine

C16H27NO — CID 55042038

IUPAC1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-6-9-17-15(12(2)3)11-14-10-13(4)7-8-16(14)18-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3
InChIKeyBFMKLLDLTMWIRL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.57
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine

1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine (PubChem CID 55042038) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
PubChem CID55042038
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(C)ccc1OC)C(C)C
InChIInChI=1S/C16H27NO/c1-6-9-17-15(12(2)3)11-14-10-13(4)7-8-16(14)18-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3
InChIKeyBFMKLLDLTMWIRL-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
1-(2-methoxy-5-methylphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 62693208
N-ethyl-3-methoxy-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-amine
CID 116720374
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
3-ethoxy-N-ethyl-1-(2-methoxy-5-methylphenyl)butan-2-amine
CID 64532794
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
N-[2-(2-methoxy-5-methylphenyl)-1-(1-methylcyclopentyl)ethyl]propan-1-amine
CID 115826614
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
1-(2-methoxy-5-methylphenyl)-N-propylhexan-3-amine
CID 62160648
N-[1-(5-bromofuran-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 115826237

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine (CID 55042038) is 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1cc(C)ccc1OC)C(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine?
The InChIKey is BFMKLLDLTMWIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-9-17-15(12(2)3)11-14-10-13(4)7-8-16(14)18-5/h7-8,10,12,15,17H,6,9,11H2,1-5H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine?
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 55042038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).