1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine

C18H31NO2 — CID 62019677

IUPAC1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCCCC(C)OCc1cc(CNC)ccc1OC
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-14-17-12-16(13-19-3)10-11-18(17)20-4/h10-12,15,19H,5-9,13-14H2,1-4H3
InChIKeyUJZPHJZVSHPCKU-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.29
Rot. Bonds11

About 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine

1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine (PubChem CID 62019677) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
PubChem CID62019677
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
SMILESCCCCCCC(C)OCc1cc(CNC)ccc1OC
InChIInChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-14-17-12-16(13-19-3)10-11-18(17)20-4/h10-12,15,19H,5-9,13-14H2,1-4H3
InChIKeyUJZPHJZVSHPCKU-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951
N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62018205
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
N-[[4-methoxy-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 62017826
N-[(3-bromo-4-methoxyphenyl)methyl]octan-2-amine
CID 43220775
N-[[4-methoxy-3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 66276951
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 107457726
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
CID 82790045
N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62456814

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine (CID 62019677) is 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine is CCCCCCC(C)OCc1cc(CNC)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is UJZPHJZVSHPCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-6-7-8-9-15(2)21-14-17-12-16(13-19-3)10-11-18(17)20-4/h10-12,15,19H,5-9,13-14H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62019677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).