1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine

C18H23NO2 — CID 62797291

IUPAC1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
SMILESCCCOc1ccc(-c2ccc(OC)c(CNC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-17-8-5-14(6-9-17)15-7-10-18(20-3)16(12-15)13-19-2/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyRVPACBTWWHSCFY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.87
Rot. Bonds7

About 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine

1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 62797291) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID62797291
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
SMILESCCCOc1ccc(-c2ccc(OC)c(CNC)c2)cc1
InChIInChI=1S/C18H23NO2/c1-4-11-21-17-8-5-14(6-9-17)15-7-10-18(20-3)16(12-15)13-19-2/h5-10,12,19H,4,11,13H2,1-3H3
InChIKeyRVPACBTWWHSCFY-UHFFFAOYSA-N
XLogP3.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
CID 43472287
1-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-N-methylmethanamine
CID 56717548
N-[(2-methoxy-5-methylphenyl)methyl]-4-propoxyaniline
CID 62327636
1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 116506606
3-(methylaminomethyl)-6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 82517817
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
2-methoxy-1-octadecoxy-4-[4-(4-octadecoxyphenyl)phenyl]benzene
CID 150766167
N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036
1-(2-methoxy-5-pyridin-2-ylphenyl)-N-methylmethanamine
CID 63680782
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine (CID 62797291) is 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine is CCCOc1ccc(-c2ccc(OC)c(CNC)c2)cc1.
What is the InChIKey of 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is RVPACBTWWHSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-11-21-17-8-5-14(6-9-17)15-7-10-18(20-3)16(12-15)13-19-2/h5-10,12,19H,4,11,13H2,1-3H3.
What are the key properties of 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine?
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 62797291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).