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

C15H17ClNO+ — CID 7827742

IUPAC(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-18-15-9-5-3-7-13(15)11-17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11H2,1H3/p+1
InChIKeyRYMKQWGZWMFKJW-UHFFFAOYSA-O
MW262.76 g/mol
LogP2.61
Rot. Bonds5

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

(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium (PubChem CID 7827742) has the molecular formula C15H17ClNO+ and a molecular weight of 262.76 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
PubChem CID7827742
Molecular FormulaC15H17ClNO+
Molecular Weight262.76 g/mol
Exact Mass262.10
IUPAC Name(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
SMILESCOc1ccccc1C[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c1-18-15-9-5-3-7-13(15)11-17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11H2,1H3/p+1
InChIKeyRYMKQWGZWMFKJW-UHFFFAOYSA-O
XLogP2.61
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
furan-2-ylmethyl-[(2-methoxyphenyl)methyl]azanium
CID 4090515
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
(2,4-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2163838
1-chloro-2-methoxybenzene
CID 13011
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
CID 7018885
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
(2,3-dimethoxyphenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2162907
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
(5-chloro-2-methoxyphenyl)methyl-[2-(2-fluorophenyl)ethyl]azanium
CID 8621780

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium (CID 7827742) is (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium is COc1ccccc1C[NH2+]Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium?
The InChIKey is RYMKQWGZWMFKJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16ClNO/c1-18-15-9-5-3-7-13(15)11-17-10-12-6-2-4-8-14(12)16/h2-9,17H,10-11H2,1H3/p+1.
What are the key properties of (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium?
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium has a molecular weight of 262.76 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 7827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).