[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine

C17H21NO2 — CID 103566148

IUPAC[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-14(6-13(12)2)11-20-17-8-15(10-18)7-16(9-17)19-3/h4-9H,10-11,18H2,1-3H3
InChIKeyPEIMFVMFDFMINC-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds5

About [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine

[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 103566148) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID103566148
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(OCc2ccc(C)c(C)c2)c1
InChIInChI=1S/C17H21NO2/c1-12-4-5-14(6-13(12)2)11-20-17-8-15(10-18)7-16(9-17)19-3/h4-9H,10-11,18H2,1-3H3
InChIKeyPEIMFVMFDFMINC-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
1-[(4-iodophenyl)methoxy]-3,5-dimethoxybenzene
CID 65490326
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
[3-(2-fluoroethoxy)-5-methoxyphenyl]methanamine
CID 103566052
[3-methoxy-5-(2-phenoxyethoxy)phenyl]methanamine
CID 103566172
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine (CID 103566148) is [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(OCc2ccc(C)c(C)c2)c1.
What is the InChIKey of [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is PEIMFVMFDFMINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-5-14(6-13(12)2)11-20-17-8-15(10-18)7-16(9-17)19-3/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine?
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 103566148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).