2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride

C22H25Cl2NO2 — CID 2949571

IUPAC2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C22H24ClNO2.ClH/c1-22(2,15-25)24-13-20-19-6-4-3-5-17(19)9-12-21(20)26-14-16-7-10-18(23)11-8-16;/h3-12,24-25H,13-15H2,1-2H3;1H
InChIKeyUDHDOVYNBKPXOV-UHFFFAOYSA-N
MW406.35 g/mol
LogP5.35
Rot. Bonds7

About 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride

2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 2949571) has the molecular formula C22H25Cl2NO2 and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID2949571
Molecular FormulaC22H25Cl2NO2
Molecular Weight406.35 g/mol
Exact Mass405.13
IUPAC Name2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.Cl
InChIInChI=1S/C22H24ClNO2.ClH/c1-22(2,15-25)24-13-20-19-6-4-3-5-17(19)9-12-21(20)26-14-16-7-10-18(23)11-8-16;/h3-12,24-25H,13-15H2,1-2H3;1H
InChIKeyUDHDOVYNBKPXOV-UHFFFAOYSA-N
XLogP5.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.35
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride (CID 2949571) is 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride is CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.Cl.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is UDHDOVYNBKPXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2.ClH/c1-22(2,15-25)24-13-20-19-6-4-3-5-17(19)9-12-21(20)26-14-16-7-10-18(23)11-8-16;/h3-12,24-25H,13-15H2,1-2H3;1H.
What are the key properties of 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride?
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 406.35 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2949571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).