1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride

C18H24ClNO — CID 6464095

IUPAC1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
SMILESCC(C)c1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14(2)16-10-8-15(9-11-16)12-19-13-18(20)17-6-4-3-5-7-17;/h3-11,14,18-20H,12-13H2,1-2H3;1H
InChIKeySDVTVTGXNHVZLJ-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.05
Rot. Bonds6

About 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride

1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride (PubChem CID 6464095) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
PubChem CID6464095
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride
SMILESCC(C)c1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14(2)16-10-8-15(9-11-16)12-19-13-18(20)17-6-4-3-5-7-17;/h3-11,14,18-20H,12-13H2,1-2H3;1H
InChIKeySDVTVTGXNHVZLJ-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride (CID 6464095) is 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride is CC(C)c1ccc(CNCC(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is SDVTVTGXNHVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14(2)16-10-8-15(9-11-16)12-19-13-18(20)17-6-4-3-5-7-17;/h3-11,14,18-20H,12-13H2,1-2H3;1H.
What are the key properties of 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride?
1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(4-propan-2-ylphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 6464095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).