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

C15H16Cl3NO — CID 2978837

IUPAC2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO.ClH/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12;/h1-8,15,18-19H,9-10H2;1H
InChIKeyRQZPUYRHVMGJKA-UHFFFAOYSA-N
MW332.66 g/mol
LogP4.24
Rot. Bonds5

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

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 2978837) has the molecular formula C15H16Cl3NO and a molecular weight of 332.66 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID2978837
Molecular FormulaC15H16Cl3NO
Molecular Weight332.66 g/mol
Exact Mass331.03
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCl.OC(CNCc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO.ClH/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12;/h1-8,15,18-19H,9-10H2;1H
InChIKeyRQZPUYRHVMGJKA-UHFFFAOYSA-N
XLogP4.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.66
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
CID 60788575
(1R)-2-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methylamino]-1-phenylethanol
CID 124786663
1-[(3,4-dichlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17293833
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride (CID 2978837) is 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride is Cl.OC(CNCc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is RQZPUYRHVMGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO.ClH/c16-13-7-6-11(8-14(13)17)9-18-10-15(19)12-4-2-1-3-5-12;/h1-8,15,18-19H,9-10H2;1H.
What are the key properties of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 332.66 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 2978837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).