[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

C22H24ClNO3 — CID 176508461

IUPAC[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCOc1ccc(OC)c(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-24-18-9-11-21(25-2)20(13-18)19-10-8-17(14-23)12-22(19)26-15-16-6-4-3-5-7-16;/h3-13H,14-15,23H2,1-2H3;1H
InChIKeyDKEPKZWTAUAXDZ-UHFFFAOYSA-N
MW385.89 g/mol
LogP4.83
Rot. Bonds7

About [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride

[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (PubChem CID 176508461) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
PubChem CID176508461
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
SMILESCOc1ccc(OC)c(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H23NO3.ClH/c1-24-18-9-11-21(25-2)20(13-18)19-10-8-17(14-23)12-22(19)26-15-16-6-4-3-5-7-16;/h3-13H,14-15,23H2,1-2H3;1H
InChIKeyDKEPKZWTAUAXDZ-UHFFFAOYSA-N
XLogP4.83
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[4-(3-ethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508425
[4-[(4-methoxyphenyl)methoxy]-3-methylphenyl]methanamine
CID 54934427
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
3-(2-fluoro-5-methoxyphenyl)-4-phenylmethoxyaniline
CID 169408820
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[5-(2-fluoro-4-methoxyphenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650029
[4-(3,5-dichlorophenyl)-3-phenylmethoxyphenyl]methanamine
CID 176508500
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride (CID 176508461) is [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is COc1ccc(OC)c(-c2ccc(CN)cc2OCc2ccccc2)c1.Cl.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
The InChIKey is DKEPKZWTAUAXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3.ClH/c1-24-18-9-11-21(25-2)20(13-18)19-10-8-17(14-23)12-22(19)26-15-16-6-4-3-5-7-16;/h3-13H,14-15,23H2,1-2H3;1H.
What are the key properties of [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride?
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 176508461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).