2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine

C17H21NO2 — CID 63986561

IUPAC2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
SMILESCOCc1cccc(OC(C)C(N)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-13(17(18)15-8-4-3-5-9-15)20-16-10-6-7-14(11-16)12-19-2/h3-11,13,17H,12,18H2,1-2H3
InChIKeyZMKOQVWAJUWRDC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds6

About 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine

2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine (PubChem CID 63986561) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
PubChem CID63986561
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine
SMILESCOCc1cccc(OC(C)C(N)c2ccccc2)c1
InChIInChI=1S/C17H21NO2/c1-13(17(18)15-8-4-3-5-9-15)20-16-10-6-7-14(11-16)12-19-2/h3-11,13,17H,12,18H2,1-2H3
InChIKeyZMKOQVWAJUWRDC-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
2-[3-(methoxymethyl)phenoxy]-N-methyl-1-phenylpropan-1-amine
CID 63984967
2-[3-(methoxymethyl)phenoxy]pentan-3-amine
CID 63984771
1-[3-(methoxymethyl)phenoxy]-1-pyridin-4-ylpropan-2-amine
CID 63985747
1-(4-fluorophenyl)-1-[3-(methoxymethyl)phenoxy]propan-2-amine
CID 63984561
2,2-difluoro-1-[3-(methoxymethyl)phenyl]ethanamine
CID 80605254
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
4-[3-(methoxymethyl)phenoxy]pentan-2-ol
CID 64720842
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
CID 61277984
N'-hydroxy-2-[3-(methoxymethyl)phenoxy]propanimidamide
CID 77014267
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
4-[3-(methoxymethyl)phenoxy]pentanoic acid
CID 63986541

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine (CID 63986561) is 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine is COCc1cccc(OC(C)C(N)c2ccccc2)c1.
What is the InChIKey of 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine?
The InChIKey is ZMKOQVWAJUWRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(17(18)15-8-4-3-5-9-15)20-16-10-6-7-14(11-16)12-19-2/h3-11,13,17H,12,18H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine?
2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-amine is sourced from PubChem (CID 63986561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).