[4-(4-chlorophenoxy)phenyl]methylazanium

C13H13ClNO+ — CID 7022021

IUPAC[4-(4-chlorophenoxy)phenyl]methylazanium
SMILES[NH3+]Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2/p+1
InChIKeyDUIRKDAXQIVVNZ-UHFFFAOYSA-O
MW234.71 g/mol
LogP2.87
Rot. Bonds3

About [4-(4-chlorophenoxy)phenyl]methylazanium

[4-(4-chlorophenoxy)phenyl]methylazanium (PubChem CID 7022021) has the molecular formula C13H13ClNO+ and a molecular weight of 234.71 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)phenyl]methylazanium.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)phenyl]methylazanium
PubChem CID7022021
Molecular FormulaC13H13ClNO+
Molecular Weight234.71 g/mol
Exact Mass234.07
IUPAC Name[4-(4-chlorophenoxy)phenyl]methylazanium
SMILES[NH3+]Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H12ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2/p+1
InChIKeyDUIRKDAXQIVVNZ-UHFFFAOYSA-O
XLogP2.87
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(4-chlorophenoxy)benzene
CID 10996522
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbut-2-en-1-amine
CID 70586336

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)phenyl]methylazanium?
The IUPAC name of [4-(4-chlorophenoxy)phenyl]methylazanium (CID 7022021) is [4-(4-chlorophenoxy)phenyl]methylazanium.
What is the SMILES notation for [4-(4-chlorophenoxy)phenyl]methylazanium?
The canonical SMILES for [4-(4-chlorophenoxy)phenyl]methylazanium is [NH3+]Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenoxy)phenyl]methylazanium?
The InChIKey is DUIRKDAXQIVVNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H,9,15H2/p+1.
What are the key properties of [4-(4-chlorophenoxy)phenyl]methylazanium?
[4-(4-chlorophenoxy)phenyl]methylazanium has a molecular weight of 234.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)phenyl]methylazanium is sourced from PubChem (CID 7022021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).