1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride

C18H22Cl2FNO — CID 44522769

IUPAC1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
SMILESCc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-12-6-7-14(9-17(12)20)8-13(2)21-11-18(22)15-4-3-5-16(19)10-15;/h3-7,9-10,13,18,21-22H,8,11H2,1-2H3;1H
InChIKeyOJEFUHLAQCOCBR-UHFFFAOYSA-N
MW358.28 g/mol
LogP4.46
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride

1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride (PubChem CID 44522769) has the molecular formula C18H22Cl2FNO and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
PubChem CID44522769
Molecular FormulaC18H22Cl2FNO
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
SMILESCc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1F.Cl
InChIInChI=1S/C18H21ClFNO.ClH/c1-12-6-7-14(9-17(12)20)8-13(2)21-11-18(22)15-4-3-5-16(19)10-15;/h3-7,9-10,13,18,21-22H,8,11H2,1-2H3;1H
InChIKeyOJEFUHLAQCOCBR-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride (CID 44522769) is 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride is Cc1ccc(CC(C)NCC(O)c2cccc(Cl)c2)cc1F.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
The InChIKey is OJEFUHLAQCOCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFNO.ClH/c1-12-6-7-14(9-17(12)20)8-13(2)21-11-18(22)15-4-3-5-16(19)10-15;/h3-7,9-10,13,18,21-22H,8,11H2,1-2H3;1H.
What are the key properties of 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride?
1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride has a molecular weight of 358.28 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride is sourced from PubChem (CID 44522769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).