(4-methoxy-3-phenylmethoxyphenyl)methanamine

C15H17NO2 — CID 12649335

IUPAC(4-methoxy-3-phenylmethoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3
InChIKeyMPXVGWDIYAEOLD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.73
Rot. Bonds5

About (4-methoxy-3-phenylmethoxyphenyl)methanamine

(4-methoxy-3-phenylmethoxyphenyl)methanamine (PubChem CID 12649335) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4-methoxy-3-phenylmethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-methoxy-3-phenylmethoxyphenyl)methanamine
PubChem CID12649335
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4-methoxy-3-phenylmethoxyphenyl)methanamine
SMILESCOc1ccc(CN)cc1OCc1ccccc1
InChIInChI=1S/C15H17NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3
InChIKeyMPXVGWDIYAEOLD-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
[4-methoxy-3-[2-(2-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20992369
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
1,1,2,2-tetradeuterio-2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine
CID 131667709
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
(3-iodo-4-phenylmethoxyphenyl)methanamine
CID 169488711
4-methoxy-3-phenylmethoxybenzamide
CID 22467475

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-phenylmethoxyphenyl)methanamine?
The IUPAC name of (4-methoxy-3-phenylmethoxyphenyl)methanamine (CID 12649335) is (4-methoxy-3-phenylmethoxyphenyl)methanamine.
What is the SMILES notation for (4-methoxy-3-phenylmethoxyphenyl)methanamine?
The canonical SMILES for (4-methoxy-3-phenylmethoxyphenyl)methanamine is COc1ccc(CN)cc1OCc1ccccc1.
What is the InChIKey of (4-methoxy-3-phenylmethoxyphenyl)methanamine?
The InChIKey is MPXVGWDIYAEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-8-7-13(10-16)9-15(14)18-11-12-5-3-2-4-6-12/h2-9H,10-11,16H2,1H3.
What are the key properties of (4-methoxy-3-phenylmethoxyphenyl)methanamine?
(4-methoxy-3-phenylmethoxyphenyl)methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-phenylmethoxyphenyl)methanamine is sourced from PubChem (CID 12649335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).