2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine

C22H23NO — CID 164888225

IUPAC2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H23NO/c1-17-10-11-19(12-13-23)22(14-17)20-8-5-9-21(15-20)24-16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16,23H2,1H3
InChIKeyREERCMUEKCBGAF-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.74
Rot. Bonds6

About 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine

2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine (PubChem CID 164888225) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine
PubChem CID164888225
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C22H23NO/c1-17-10-11-19(12-13-23)22(14-17)20-8-5-9-21(15-20)24-16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16,23H2,1H3
InChIKeyREERCMUEKCBGAF-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 164888238
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 164888223
5-fluoro-2-methyl-4-(3-phenylmethoxyphenyl)aniline
CID 171916620
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
4-methyl-5-(3-phenylmethoxyphenyl)pyridin-3-amine
CID 178203209
[2-(3-phenylmethoxyphenyl)-3-pyridinyl]methanamine
CID 22663707
2-methyl-3-(3-phenylmethoxyphenyl)benzoic acid
CID 53228681
2-[5-phenyl-2-(3-phenylmethoxyphenyl)phenyl]ethanol
CID 122540105
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
2-[2-[(4-phenylmethoxyphenoxy)methyl]phenyl]ethanamine
CID 113314859
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine (CID 164888225) is 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine is Cc1ccc(CCN)c(-c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine?
The InChIKey is REERCMUEKCBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17-10-11-19(12-13-23)22(14-17)20-8-5-9-21(15-20)24-16-18-6-3-2-4-7-18/h2-11,14-15H,12-13,16,23H2,1H3.
What are the key properties of 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine?
2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine has a molecular weight of 317.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3-phenylmethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 164888225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).