1-(4-chlorophenyl)ethylazanium

C8H11ClN+ — CID 18541873

IUPAC1-(4-chlorophenyl)ethylazanium
SMILESCC([NH3+])c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/p+1
InChIKeyPINPOEWMCLFRRB-UHFFFAOYSA-O
MW156.64 g/mol
LogP1.64
Rot. Bonds1

About 1-(4-chlorophenyl)ethylazanium

1-(4-chlorophenyl)ethylazanium (PubChem CID 18541873) has the molecular formula C8H11ClN+ and a molecular weight of 156.64 g/mol. Its IUPAC name is 1-(4-chlorophenyl)ethylazanium.

Molecular Properties

Compound Name1-(4-chlorophenyl)ethylazanium
PubChem CID18541873
Molecular FormulaC8H11ClN+
Molecular Weight156.64 g/mol
Exact Mass156.06
IUPAC Name1-(4-chlorophenyl)ethylazanium
SMILESCC([NH3+])c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/p+1
InChIKeyPINPOEWMCLFRRB-UHFFFAOYSA-O
XLogP1.64
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.64
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-butan-2-yl-4-chlorobenzene;ethane
CID 91162250
1-chloro-4-(1-propan-2-yloxyethyl)benzene;ethane
CID 144923425
1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
CID 55029213
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
3-(4-chlorophenyl)butan-2-one
CID 21269944
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)ethylazanium?
The IUPAC name of 1-(4-chlorophenyl)ethylazanium (CID 18541873) is 1-(4-chlorophenyl)ethylazanium.
What is the SMILES notation for 1-(4-chlorophenyl)ethylazanium?
The canonical SMILES for 1-(4-chlorophenyl)ethylazanium is CC([NH3+])c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)ethylazanium?
The InChIKey is PINPOEWMCLFRRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/p+1.
What are the key properties of 1-(4-chlorophenyl)ethylazanium?
1-(4-chlorophenyl)ethylazanium has a molecular weight of 156.64 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)ethylazanium is sourced from PubChem (CID 18541873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).