(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium

C9H13ClNO+ — CID 7018888

IUPAC(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C9H12ClNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2/p+1
InChIKeySBTVFWBGEIPFDO-UHFFFAOYSA-O
MW186.66 g/mol
LogP0.40
Rot. Bonds4

About (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium

(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium (PubChem CID 7018888) has the molecular formula C9H13ClNO+ and a molecular weight of 186.66 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
PubChem CID7018888
Molecular FormulaC9H13ClNO+
Molecular Weight186.66 g/mol
Exact Mass186.07
IUPAC Name(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
SMILESOCC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C9H12ClNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2/p+1
InChIKeySBTVFWBGEIPFDO-UHFFFAOYSA-O
XLogP0.40
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-chlorophenyl)methyl-(2-hydroxyethyl)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-(3-hydroxypropyl)azanium
CID 7018885
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
(2-chlorophenyl)methyl-(3-ethoxy-3-oxopropyl)azanium
CID 4164983
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
CID 8622999
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
(2-chlorophenyl)methyl-[(2S)-2-(4-fluorophenyl)-2-hydroxy-2-phenylethyl]azanium
CID 7097563
5-(2-chlorophenyl)pent-3-en-1-ol
CID 123893185

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium?
The IUPAC name of (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium (CID 7018888) is (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium?
The canonical SMILES for (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium is OCC[NH2+]Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium?
The InChIKey is SBTVFWBGEIPFDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12ClNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium?
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium has a molecular weight of 186.66 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-(2-hydroxyethyl)azanium is sourced from PubChem (CID 7018888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).