3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride

C15H16Cl3NO2 — CID 6463763

IUPAC3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
SMILESCl.Oc1cccc(C(O)CNCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2.ClH/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10;/h1-7,15,18-20H,8-9H2;1H
InChIKeyUMQOURCFDCMMBU-UHFFFAOYSA-N
MW348.66 g/mol
LogP3.94
Rot. Bonds5

About 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride

3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride (PubChem CID 6463763) has the molecular formula C15H16Cl3NO2 and a molecular weight of 348.66 g/mol. Its IUPAC name is 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
PubChem CID6463763
Molecular FormulaC15H16Cl3NO2
Molecular Weight348.66 g/mol
Exact Mass347.02
IUPAC Name3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
SMILESCl.Oc1cccc(C(O)CNCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2.ClH/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10;/h1-7,15,18-20H,8-9H2;1H
InChIKeyUMQOURCFDCMMBU-UHFFFAOYSA-N
XLogP3.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.66
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylamino]-1-phenylethanol
CID 43393572
2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17295139
3-[1-hydroxy-2-(prop-2-enylamino)ethyl]phenol;hydrochloride
CID 70405154
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
3-[1-[(2-chloro-4-fluorophenyl)methylamino]ethyl]phenol
CID 103792956
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
2-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 66531949
3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 86893298

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride?
The IUPAC name of 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride (CID 6463763) is 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride.
What is the SMILES notation for 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride?
The canonical SMILES for 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride is Cl.Oc1cccc(C(O)CNCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride?
The InChIKey is UMQOURCFDCMMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2.ClH/c16-12-5-4-11(14(17)7-12)8-18-9-15(20)10-2-1-3-13(19)6-10;/h1-7,15,18-20H,8-9H2;1H.
What are the key properties of 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride?
3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride has a molecular weight of 348.66 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,4-dichlorophenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride is sourced from PubChem (CID 6463763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).