[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine

C16H19NO3 — CID 22688697

IUPAC[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cccc(OCc2ccc(CN)cc2)c1OC
InChIInChI=1S/C16H19NO3/c1-18-14-4-3-5-15(16(14)19-2)20-11-13-8-6-12(10-17)7-9-13/h3-9H,10-11,17H2,1-2H3
InChIKeyYYCQRBHCPXNTRA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.74
Rot. Bonds6

About [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine

[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine (PubChem CID 22688697) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
PubChem CID22688697
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
SMILESCOc1cccc(OCc2ccc(CN)cc2)c1OC
InChIInChI=1S/C16H19NO3/c1-18-14-4-3-5-15(16(14)19-2)20-11-13-8-6-12(10-17)7-9-13/h3-9H,10-11,17H2,1-2H3
InChIKeyYYCQRBHCPXNTRA-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2,3-dimethoxyphenoxy)methyl]-1,2-dimethoxynaphthalene
CID 167089470
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(4-bromo-2,6-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688741
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-[4-[(2,6-dimethoxyphenoxy)methyl]phenyl]-N-methylmethanamine
CID 62450181
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine (CID 22688697) is [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine is COc1cccc(OCc2ccc(CN)cc2)c1OC.
What is the InChIKey of [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine?
The InChIKey is YYCQRBHCPXNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-4-3-5-15(16(14)19-2)20-11-13-8-6-12(10-17)7-9-13/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine?
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 22688697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).