(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium

C16H19ClNO+ — CID 7311574

IUPAC(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17/h2-10,12,16,18-19H,11H2,1H3/p+1/t12-,16+/m1/s1
InChIKeyKCYXVAXVDNWVJI-WBMJQRKESA-O
MW276.79 g/mol
LogP2.53
Rot. Bonds5

About (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium

(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium (PubChem CID 7311574) has the molecular formula C16H19ClNO+ and a molecular weight of 276.79 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
PubChem CID7311574
Molecular FormulaC16H19ClNO+
Molecular Weight276.79 g/mol
Exact Mass276.11
IUPAC Name(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
SMILESC[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](O)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17/h2-10,12,16,18-19H,11H2,1H3/p+1/t12-,16+/m1/s1
InChIKeyKCYXVAXVDNWVJI-WBMJQRKESA-O
XLogP2.53
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 6948605
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
(2,4-dimethoxyphenyl)methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311637
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-prop-2-ynylazanium
CID 7331312
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174078
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8637284
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6922967
[4-(diethylamino)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7345678
[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8639360
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
CID 7390028
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium (CID 7311574) is (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium is C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](O)c1ccccc1.
What is the InChIKey of (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
The InChIKey is KCYXVAXVDNWVJI-WBMJQRKESA-O. The full InChI is InChI=1S/C16H18ClNO/c1-12(16(19)13-7-3-2-4-8-13)18-11-14-9-5-6-10-15(14)17/h2-10,12,16,18-19H,11H2,1H3/p+1/t12-,16+/m1/s1.
What are the key properties of (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium?
(2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium has a molecular weight of 276.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 7311574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).