1-(2,3-dichlorophenyl)ethanamine chloride

C8H9Cl3N- — CID 51371192

IUPAC1-(2,3-dichlorophenyl)ethanamine chloride
SMILESCC(N)c1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/p-1
InChIKeyFQTXPVLCCDQRHY-UHFFFAOYSA-M
MW225.53 g/mol
LogP0.02
Rot. Bonds1

About 1-(2,3-dichlorophenyl)ethanamine chloride

1-(2,3-dichlorophenyl)ethanamine chloride (PubChem CID 51371192) has the molecular formula C8H9Cl3N- and a molecular weight of 225.53 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)ethanamine chloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)ethanamine chloride
PubChem CID51371192
Molecular FormulaC8H9Cl3N-
Molecular Weight225.53 g/mol
Exact Mass223.98
IUPAC Name1-(2,3-dichlorophenyl)ethanamine chloride
SMILESCC(N)c1cccc(Cl)c1Cl.[Cl-]
InChIInChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/p-1
InChIKeyFQTXPVLCCDQRHY-UHFFFAOYSA-M
XLogP0.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.53
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dichlorophenyl)methanediamine
CID 139660481
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(1R)-1-(3-bromo-2-chlorophenyl)ethanamine
CID 121347621
(1R)-1-[2-chloro-3-(difluoromethyl)phenyl]ethanamine
CID 155687240
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
5-(2,3-dichlorophenyl)hexan-2-amine
CID 83924701
1-(3-chloro-2-ethylphenyl)ethanamine
CID 55282623
(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247920
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
2-(2,3-dichlorophenyl)propanenitrile
CID 69268424

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)ethanamine chloride?
The IUPAC name of 1-(2,3-dichlorophenyl)ethanamine chloride (CID 51371192) is 1-(2,3-dichlorophenyl)ethanamine chloride.
What is the SMILES notation for 1-(2,3-dichlorophenyl)ethanamine chloride?
The canonical SMILES for 1-(2,3-dichlorophenyl)ethanamine chloride is CC(N)c1cccc(Cl)c1Cl.[Cl-].
What is the InChIKey of 1-(2,3-dichlorophenyl)ethanamine chloride?
The InChIKey is FQTXPVLCCDQRHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9Cl2N.ClH/c1-5(11)6-3-2-4-7(9)8(6)10;/h2-5H,11H2,1H3;1H/p-1.
What are the key properties of 1-(2,3-dichlorophenyl)ethanamine chloride?
1-(2,3-dichlorophenyl)ethanamine chloride has a molecular weight of 225.53 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)ethanamine chloride is sourced from PubChem (CID 51371192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).