6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine

C18H31NO2 — CID 105185190

IUPAC6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
SMILESCCCNC(CCOc1cccc(C)c1)C(C)CCOC
InChIInChI=1S/C18H31NO2/c1-5-11-19-18(16(3)9-12-20-4)10-13-21-17-8-6-7-15(2)14-17/h6-8,14,16,18-19H,5,9-13H2,1-4H3
InChIKeyJCTOMNGZNWWUKG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.80
Rot. Bonds11

About 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine

6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine (PubChem CID 105185190) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
PubChem CID105185190
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
SMILESCCCNC(CCOc1cccc(C)c1)C(C)CCOC
InChIInChI=1S/C18H31NO2/c1-5-11-19-18(16(3)9-12-20-4)10-13-21-17-8-6-7-15(2)14-17/h6-8,14,16,18-19H,5,9-13H2,1-4H3
InChIKeyJCTOMNGZNWWUKG-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
6-methoxy-1-(2-methoxyethoxy)-4-methyl-N-propylhexan-3-amine
CID 102928662
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
3-(3-methylphenoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 105150138
3-(3-methylphenoxy)-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 105155679
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
1-(3-methylphenoxy)-N-propylbutan-2-amine
CID 62038069
1-(3-ethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 78991182

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine?
The IUPAC name of 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine (CID 105185190) is 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine.
What is the SMILES notation for 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine?
The canonical SMILES for 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine is CCCNC(CCOc1cccc(C)c1)C(C)CCOC.
What is the InChIKey of 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine?
The InChIKey is JCTOMNGZNWWUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-11-19-18(16(3)9-12-20-4)10-13-21-17-8-6-7-15(2)14-17/h6-8,14,16,18-19H,5,9-13H2,1-4H3.
What are the key properties of 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine?
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine has a molecular weight of 293.45 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine is sourced from PubChem (CID 105185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).