1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine

C12H19NO2 — CID 43472287

IUPAC1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OC)c1
InChIInChI=1S/C12H19NO2/c1-4-7-15-11-6-5-10(9-13-2)12(8-11)14-3/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyACXWZJLFECSZEG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine

1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine (PubChem CID 43472287) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
PubChem CID43472287
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1ccc(CNC)c(OC)c1
InChIInChI=1S/C12H19NO2/c1-4-7-15-11-6-5-10(9-13-2)12(8-11)14-3/h5-6,8,13H,4,7,9H2,1-3H3
InChIKeyACXWZJLFECSZEG-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

N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
1-[2-(3-ethoxypropoxy)-4-propoxyphenyl]-N-methylmethanamine
CID 65176070
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
1-[2-methoxy-5-(4-propoxyphenyl)phenyl]-N-methylmethanamine
CID 62797291
1-(2-cycloheptyloxy-4-propoxyphenyl)-N-methylmethanamine
CID 82927704
N-methyl-1-[4-propoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62700076
2,2-dimethyl-4-[2-(methylaminomethyl)-5-propoxyphenoxy]butanenitrile
CID 65247087
N-methyl-1-[2-(oxan-4-ylmethoxy)-4-propoxyphenyl]methanamine
CID 62386201
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
5-[[2-(methylaminomethyl)-5-propoxyphenoxy]methyl]-1,3-oxazolidin-2-one
CID 60889962
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine (CID 43472287) is 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine is CCCOc1ccc(CNC)c(OC)c1.
What is the InChIKey of 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine?
The InChIKey is ACXWZJLFECSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-7-15-11-6-5-10(9-13-2)12(8-11)14-3/h5-6,8,13H,4,7,9H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine?
1-(2-methoxy-4-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-(2-methoxy-4-propoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43472287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).