[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine

C17H21NO2 — CID 106786215

IUPAC[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCOc1cc(COC(C)c2ccccc2)ccc1CN
InChIInChI=1S/C17H21NO2/c1-13(15-6-4-3-5-7-15)20-12-14-8-9-16(11-18)17(10-14)19-2/h3-10,13H,11-12,18H2,1-2H3
InChIKeyMAYKFTHLAXMDLU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.43
Rot. Bonds6

About [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine

[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine (PubChem CID 106786215) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
PubChem CID106786215
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
SMILESCOc1cc(COC(C)c2ccccc2)ccc1CN
InChIInChI=1S/C17H21NO2/c1-13(15-6-4-3-5-7-15)20-12-14-8-9-16(11-18)17(10-14)19-2/h3-10,13H,11-12,18H2,1-2H3
InChIKeyMAYKFTHLAXMDLU-UHFFFAOYSA-N
XLogP3.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
CID 105351383
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine (CID 106786215) is [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine is COc1cc(COC(C)c2ccccc2)ccc1CN.
What is the InChIKey of [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine?
The InChIKey is MAYKFTHLAXMDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(15-6-4-3-5-7-15)20-12-14-8-9-16(11-18)17(10-14)19-2/h3-10,13H,11-12,18H2,1-2H3.
What are the key properties of [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine?
[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine is sourced from PubChem (CID 106786215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).