(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

C16H19ClNO+ — CID 2235903

IUPAC(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-19-16-9-5-3-6-13(16)10-11-18-12-14-7-2-4-8-15(14)17/h2-9,18H,10-12H2,1H3/p+1
InChIKeyHCGQPPVETQLWBN-UHFFFAOYSA-O
MW276.79 g/mol
LogP2.65
Rot. Bonds6

About (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium

(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (PubChem CID 2235903) has the molecular formula C16H19ClNO+ and a molecular weight of 276.79 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
PubChem CID2235903
Molecular FormulaC16H19ClNO+
Molecular Weight276.79 g/mol
Exact Mass276.11
IUPAC Name(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1CC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-19-16-9-5-3-6-13(16)10-11-18-12-14-7-2-4-8-15(14)17/h2-9,18H,10-12H2,1H3/p+1
InChIKeyHCGQPPVETQLWBN-UHFFFAOYSA-O
XLogP2.65
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]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-[(2-methoxyphenyl)methyl]azanium
CID 7827742
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
2-(3-fluorophenyl)ethyl-[(2-methoxyphenyl)methyl]azanium
CID 2249443
1-chloro-2-methoxybenzene
CID 13011
(6-chloro-7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 7692442

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium (CID 2235903) is (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1CC[NH2+]Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is HCGQPPVETQLWBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClNO/c1-19-16-9-5-3-6-13(16)10-11-18-12-14-7-2-4-8-15(14)17/h2-9,18H,10-12H2,1H3/p+1.
What are the key properties of (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium?
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 276.79 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 2235903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).