4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride

C8H10Cl3NO — CID 23071601

IUPAC4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
SMILESCl.NCCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-3-5(1-2-11)4-7(10)8(6)12;/h3-4,12H,1-2,11H2;1H
InChIKeyDNPYDTZUFYUNHV-UHFFFAOYSA-N
MW242.53 g/mol
LogP2.62
Rot. Bonds2

About 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride

4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride (PubChem CID 23071601) has the molecular formula C8H10Cl3NO and a molecular weight of 242.53 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
PubChem CID23071601
Molecular FormulaC8H10Cl3NO
Molecular Weight242.53 g/mol
Exact Mass240.98
IUPAC Name4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride
SMILESCl.NCCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H9Cl2NO.ClH/c9-6-3-5(1-2-11)4-7(10)8(6)12;/h3-4,12H,1-2,11H2;1H
InChIKeyDNPYDTZUFYUNHV-UHFFFAOYSA-N
XLogP2.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol
CID 22112154
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
4-(2-aminoethyl)-2-chlorophenol;hydrobromide
CID 67045103
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
2-(2-aminoethyl)-6-chloro-4-methylphenol
CID 83876612
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2,6-dichloro-4-[2-(2,4-dichloro-5-hydroxyphenyl)ethyl]phenol
CID 166436398
2-amino-6-chloro-4-propylphenol
CID 175267569
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride (CID 23071601) is 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride is Cl.NCCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride?
The InChIKey is DNPYDTZUFYUNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO.ClH/c9-6-3-5(1-2-11)4-7(10)8(6)12;/h3-4,12H,1-2,11H2;1H.
What are the key properties of 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride?
4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride has a molecular weight of 242.53 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,6-dichlorophenol;hydrochloride is sourced from PubChem (CID 23071601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).