[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine

C16H19NO — CID 16784243

IUPAC[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2cccc(CN)c2)cc1C
InChIInChI=1S/C16H19NO/c1-12-6-7-16(8-13(12)2)18-11-15-5-3-4-14(9-15)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyDRZMCECTLGCLDQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.34
Rot. Bonds4

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

[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine (PubChem CID 16784243) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
PubChem CID16784243
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(OCc2cccc(CN)c2)cc1C
InChIInChI=1S/C16H19NO/c1-12-6-7-16(8-13(12)2)18-11-15-5-3-4-14(9-15)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyDRZMCECTLGCLDQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148
2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethanamine
CID 22681607
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
4-[(3-chlorophenoxy)methyl]-1,2-dimethylbenzene
CID 64764553
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine (CID 16784243) is [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine is Cc1ccc(OCc2cccc(CN)c2)cc1C.
What is the InChIKey of [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine?
The InChIKey is DRZMCECTLGCLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-6-7-16(8-13(12)2)18-11-15-5-3-4-14(9-15)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine?
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 16784243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).