[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride

C17H22ClNO2 — CID 110184490

IUPAC[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
SMILESCc1cccc(COc2ccc(C(O)C(C)[NH3+])cc2)c1.[Cl-]
InChIInChI=1S/C17H21NO2.ClH/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18;/h3-10,13,17,19H,11,18H2,1-2H3;1H
InChIKeyUGDQIWDZSMIMIN-UHFFFAOYSA-N
MW307.82 g/mol
LogP-0.76
Rot. Bonds5

About [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride

[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride (PubChem CID 110184490) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride.

Molecular Properties

Compound Name[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
PubChem CID110184490
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
SMILESCc1cccc(COc2ccc(C(O)C(C)[NH3+])cc2)c1.[Cl-]
InChIInChI=1S/C17H21NO2.ClH/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18;/h3-10,13,17,19H,11,18H2,1-2H3;1H
InChIKeyUGDQIWDZSMIMIN-UHFFFAOYSA-N
XLogP-0.76
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-[(4-chlorophenyl)methoxy]phenyl]-1-hydroxypropan-2-yl]azanium chloride
CID 110184492
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
1-methyl-3-[[4-[[4-[(3-methylphenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]benzene
CID 146262404
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78930281
2-amino-1-[4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-ol
CID 110185097
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
CID 82051803
3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
CID 119773812
4-[(3-methylphenyl)methoxy]benzonitrile
CID 2226315
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
(NZ)-N-[[4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6272354

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride?
The IUPAC name of [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride (CID 110184490) is [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride.
What is the SMILES notation for [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride?
The canonical SMILES for [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride is Cc1cccc(COc2ccc(C(O)C(C)[NH3+])cc2)c1.[Cl-].
What is the InChIKey of [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride?
The InChIKey is UGDQIWDZSMIMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-12-4-3-5-14(10-12)11-20-16-8-6-15(7-9-16)17(19)13(2)18;/h3-10,13,17,19H,11,18H2,1-2H3;1H.
What are the key properties of [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride?
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride has a molecular weight of 307.82 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride is sourced from PubChem (CID 110184490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).