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

C16H19ClNO+ — CID 7826978

IUPAC(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
SMILESCCOc1ccccc1C[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-19-16-10-6-4-8-14(16)12-18-11-13-7-3-5-9-15(13)17/h3-10,18H,2,11-12H2,1H3/p+1
InChIKeyNITWWHJPLABFIV-UHFFFAOYSA-O
MW276.79 g/mol
LogP3.00
Rot. Bonds6

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

(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium (PubChem CID 7826978) has the molecular formula C16H19ClNO+ and a molecular weight of 276.79 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
PubChem CID7826978
Molecular FormulaC16H19ClNO+
Molecular Weight276.79 g/mol
Exact Mass276.11
IUPAC Name(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
SMILESCCOc1ccccc1C[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-19-16-10-6-4-8-14(16)12-18-11-13-7-3-5-9-15(13)17/h3-10,18H,2,11-12H2,1H3/p+1
InChIKeyNITWWHJPLABFIV-UHFFFAOYSA-O
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 4736676
(2-chlorophenyl)methyl-(3-ethoxy-3-oxopropyl)azanium
CID 4164983
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(2-butoxyphenyl)methyl-ethylazanium
CID 7378012
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
1-ethoxy-2-(methylsulfanylmethyl)benzene
CID 130225008

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium (CID 7826978) is (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium is CCOc1ccccc1C[NH2+]Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium?
The InChIKey is NITWWHJPLABFIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClNO/c1-2-19-16-10-6-4-8-14(16)12-18-11-13-7-3-5-9-15(13)17/h3-10,18H,2,11-12H2,1H3/p+1.
What are the key properties of (2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium?
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium has a molecular weight of 276.79 g/mol, XLogP of 3.00, 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-ethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7826978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).