N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine

C14H21NO2 — CID 43560143

IUPACN-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-3-15-9-12-5-4-6-13(16-2)14(12)17-10-11-7-8-11/h4-6,11,15H,3,7-10H2,1-2H3
InChIKeyGKTJGWJYIBRCOY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine

N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine (PubChem CID 43560143) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
PubChem CID43560143
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1cccc(OC)c1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-3-15-9-12-5-4-6-13(16-2)14(12)17-10-11-7-8-11/h4-6,11,15H,3,7-10H2,1-2H3
InChIKeyGKTJGWJYIBRCOY-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
N-[[3-methoxy-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43591779
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
N-[[2-(3-fluoropropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 81106283
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
1-[2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 60888804
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]cyclopentan-1-ol
CID 60888802
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine (CID 43560143) is N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine is CCNCc1cccc(OC)c1OCC1CC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine?
The InChIKey is GKTJGWJYIBRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-15-9-12-5-4-6-13(16-2)14(12)17-10-11-7-8-11/h4-6,11,15H,3,7-10H2,1-2H3.
What are the key properties of N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine?
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 43560143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).