(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium

C10H15ClNO+ — CID 7827919

IUPAC(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1
InChIKeyQVSYPVHTTIDEPQ-MRVPVSSYSA-O
MW200.69 g/mol
LogP0.78
Rot. Bonds4

About (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium

(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium (PubChem CID 7827919) has the molecular formula C10H15ClNO+ and a molecular weight of 200.69 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
PubChem CID7827919
Molecular FormulaC10H15ClNO+
Molecular Weight200.69 g/mol
Exact Mass200.08
IUPAC Name(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
SMILESC[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1
InChIKeyQVSYPVHTTIDEPQ-MRVPVSSYSA-O
XLogP0.78
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
CID 2077749
benzyl-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
CID 2359138
1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
1-[(4-chlorophenyl)methoxy]ethanol
CID 134444684
(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
CID 8898295
(2S)-1-[[(2R)-1-(4-chlorophenyl)propan-2-yl]amino]propan-2-ol
CID 124515229
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
(4-chlorophenyl)methyl-trihydroxyphosphanium
CID 57315316

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium (CID 7827919) is (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium is C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is QVSYPVHTTIDEPQ-MRVPVSSYSA-O. The full InChI is InChI=1S/C10H14ClNO/c1-8(13)6-12-7-9-2-4-10(11)5-3-9/h2-5,8,12-13H,6-7H2,1H3/p+1/t8-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium?
(4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 200.69 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7827919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).