4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride

C21H22ClNO2 — CID 139702369

IUPAC4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(C(CNCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H21NO2.ClH/c23-19-10-6-17(7-11-19)21(18-8-12-20(24)13-9-18)15-22-14-16-4-2-1-3-5-16;/h1-13,21-24H,14-15H2;1H
InChIKeyXJNUHYWRCQMUSV-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.44
Rot. Bonds6

About 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride

4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride (PubChem CID 139702369) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
PubChem CID139702369
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride
SMILESCl.Oc1ccc(C(CNCc2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C21H21NO2.ClH/c23-19-10-6-17(7-11-19)21(18-8-12-20(24)13-9-18)15-22-14-16-4-2-1-3-5-16;/h1-13,21-24H,14-15H2;1H
InChIKeyXJNUHYWRCQMUSV-UHFFFAOYSA-N
XLogP4.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
CID 87998810
(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
4-(benzylamino)phenol;hydrochloride
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4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride?
The IUPAC name of 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride (CID 139702369) is 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride?
The canonical SMILES for 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride is Cl.Oc1ccc(C(CNCc2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride?
The InChIKey is XJNUHYWRCQMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2.ClH/c23-19-10-6-17(7-11-19)21(18-8-12-20(24)13-9-18)15-22-14-16-4-2-1-3-5-16;/h1-13,21-24H,14-15H2;1H.
What are the key properties of 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride?
4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-1-(4-hydroxyphenyl)ethyl]phenol;hydrochloride is sourced from PubChem (CID 139702369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).