2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol

C15H15Cl2NO — CID 60788575

IUPAC2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2
InChIKeyWUAYXSQHMGWEDP-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.82
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol

2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol (PubChem CID 60788575) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
PubChem CID60788575
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol
SMILESOC(CNCc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H15Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2
InChIKeyWUAYXSQHMGWEDP-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol
CID 2978838
2-[(3,4-dichlorophenyl)methylamino]-1-phenylethanol;hydrochloride
CID 2978837
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
2-[(3,4-dibromophenyl)methylamino]-1-phenylethanol
CID 115692952
1-(4-chlorophenyl)-2-[(3,5-difluorophenyl)methylamino]ethanol
CID 110888261
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol (CID 60788575) is 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol is OC(CNCc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol?
The InChIKey is WUAYXSQHMGWEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c16-13-6-11(7-14(17)8-13)9-18-10-15(19)12-4-2-1-3-5-12/h1-8,15,18-19H,9-10H2.
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol?
2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol has a molecular weight of 296.20 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 60788575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).