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

C22H23NO — CID 164888238

IUPAC2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C22H23NO/c1-17-11-12-19(13-14-23)21(15-17)20-9-5-6-10-22(20)24-16-18-7-3-2-4-8-18/h2-12,15H,13-14,16,23H2,1H3
InChIKeyOBSIROVQFKTIKB-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.74
Rot. Bonds6

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

2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine (PubChem CID 164888238) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine
PubChem CID164888238
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine
SMILESCc1ccc(CCN)c(-c2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C22H23NO/c1-17-11-12-19(13-14-23)21(15-17)20-9-5-6-10-22(20)24-16-18-7-3-2-4-8-18/h2-12,15H,13-14,16,23H2,1H3
InChIKeyOBSIROVQFKTIKB-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-(3-phenylmethoxyphenyl)phenyl]ethanamine
CID 164888225
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
2-[2-(2,5-dimethoxyphenyl)-4-methylphenyl]ethanamine
CID 137354597
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
1-fluoro-4-[2-[(4-methylphenyl)methoxy]phenyl]benzene
CID 123297454
2-[5-methyl-2-(2-phenylsulfanylethoxy)phenyl]ethanamine
CID 79227935
4-methyl-3-(2-phenylmethoxyphenyl)benzonitrile
CID 172914857
6-methyl-2-(2-phenylmethoxyphenyl)indolizine-3-carbaldehyde
CID 4254020

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine (CID 164888238) is 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine is Cc1ccc(CCN)c(-c2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine?
The InChIKey is OBSIROVQFKTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-17-11-12-19(13-14-23)21(15-17)20-9-5-6-10-22(20)24-16-18-7-3-2-4-8-18/h2-12,15H,13-14,16,23H2,1H3.
What are the key properties of 2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine?
2-[4-methyl-2-(2-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-(2-phenylmethoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 164888238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).