2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine

C17H21NO — CID 115464752

IUPAC2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cccc(OCc2ccccc2CCN)c1C
InChIInChI=1S/C17H21NO/c1-13-6-5-9-17(14(13)2)19-12-16-8-4-3-7-15(16)10-11-18/h3-9H,10-12,18H2,1-2H3
InChIKeyBYJMILOLZKKCDL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine

2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine (PubChem CID 115464752) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
PubChem CID115464752
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine
SMILESCc1cccc(OCc2ccccc2CCN)c1C
InChIInChI=1S/C17H21NO/c1-13-6-5-9-17(14(13)2)19-12-16-8-4-3-7-15(16)10-11-18/h3-9H,10-12,18H2,1-2H3
InChIKeyBYJMILOLZKKCDL-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]acetonitrile
CID 22356632
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416
2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 115464889
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanamine
CID 112651124
2-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 112614778
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
ethane;2-(2-methylphenyl)ethanamine
CID 91237349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine (CID 115464752) is 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine is Cc1cccc(OCc2ccccc2CCN)c1C.
What is the InChIKey of 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is BYJMILOLZKKCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-6-5-9-17(14(13)2)19-12-16-8-4-3-7-15(16)10-11-18/h3-9H,10-12,18H2,1-2H3.
What are the key properties of 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine?
2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dimethylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 115464752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).