[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride

C16H19Cl2NO2 — CID 110184492

IUPAC[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
SMILESCC([NH3+])C(O)c1ccc(OCc2ccc(Cl)cc2)cc1.[Cl-]
InChIInChI=1S/C16H18ClNO2.ClH/c1-11(18)16(19)13-4-8-15(9-5-13)20-10-12-2-6-14(17)7-3-12;/h2-9,11,16,19H,10,18H2,1H3;1H
InChIKeyCHMBLCUYWSJLMO-UHFFFAOYSA-N
MW328.24 g/mol
LogP-0.41
Rot. Bonds5

About [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride

[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride (PubChem CID 110184492) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
PubChem CID110184492
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
SMILESCC([NH3+])C(O)c1ccc(OCc2ccc(Cl)cc2)cc1.[Cl-]
InChIInChI=1S/C16H18ClNO2.ClH/c1-11(18)16(19)13-4-8-15(9-5-13)20-10-12-2-6-14(17)7-3-12;/h2-9,11,16,19H,10,18H2,1H3;1H
InChIKeyCHMBLCUYWSJLMO-UHFFFAOYSA-N
XLogP-0.41
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
(1R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]ethanol
CID 63364366
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-(bromomethyl)-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43141529
propan-2-yl 4-[(4-chlorophenyl)methoxy]benzoate
CID 82186223
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride?
The IUPAC name of [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride (CID 110184492) is [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride.
What is the SMILES notation for [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride?
The canonical SMILES for [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride is CC([NH3+])C(O)c1ccc(OCc2ccc(Cl)cc2)cc1.[Cl-].
What is the InChIKey of [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride?
The InChIKey is CHMBLCUYWSJLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2.ClH/c1-11(18)16(19)13-4-8-15(9-5-13)20-10-12-2-6-14(17)7-3-12;/h2-9,11,16,19H,10,18H2,1H3;1H.
What are the key properties of [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride?
[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride has a molecular weight of 328.24 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride is sourced from PubChem (CID 110184492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).