1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine

C12H19NO2 — CID 15079025

IUPAC1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1cc(CNC)ccc1OC
InChIInChI=1S/C12H19NO2/c1-4-7-15-12-8-10(9-13-2)5-6-11(12)14-3/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyOFABLMKFIBGMPM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds6

About 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine

1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine (PubChem CID 15079025) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
PubChem CID15079025
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1cc(CNC)ccc1OC
InChIInChI=1S/C12H19NO2/c1-4-7-15-12-8-10(9-13-2)5-6-11(12)14-3/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyOFABLMKFIBGMPM-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
1-[4-methoxy-3-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103408997
N-ethyl-3-[2-methoxy-5-(methylaminomethyl)phenoxy]propanamide
CID 55061727
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
1-[4-methoxy-3-(2-phenylsulfanylethoxy)phenyl]-N-methylmethanamine
CID 79214023
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
2-chloro-N-[(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 82110117
1-[3-ethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54935970
1-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102999612
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29225928

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine (CID 15079025) is 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine is CCCOc1cc(CNC)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine?
The InChIKey is OFABLMKFIBGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-15-12-8-10(9-13-2)5-6-11(12)14-3/h5-6,8,13H,4,7,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine?
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine has a molecular weight of 209.29 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 15079025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).