2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride

C8H11Cl3N2O — CID 171224788

IUPAC2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
SMILESCl.NC[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,11-12H2;1H/t7-;/m0./s1
InChIKeyISTMQKFCRNCNMS-FJXQXJEOSA-N
MW257.55 g/mol
LogP2.08
Rot. Bonds2

About 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride

2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride (PubChem CID 171224788) has the molecular formula C8H11Cl3N2O and a molecular weight of 257.55 g/mol. Its IUPAC name is 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
PubChem CID171224788
Molecular FormulaC8H11Cl3N2O
Molecular Weight257.55 g/mol
Exact Mass255.99
IUPAC Name2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
SMILESCl.NC[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C8H10Cl2N2O.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,11-12H2;1H/t7-;/m0./s1
InChIKeyISTMQKFCRNCNMS-FJXQXJEOSA-N
XLogP2.08
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.55
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-amino-2-fluoroethyl]-2,6-dichlorophenol;hydrochloride
CID 171224787
2-chloro-4-[(1S)-1,2-diaminoethyl]-6-methoxyphenol;hydrochloride
CID 171215335
4-[(1R)-1-aminopent-4-enyl]-2,6-dichlorophenol;hydrochloride
CID 171205248
4-bromo-2-chloro-6-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171253275
1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 60788932
(1R)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 66517114
4-(1,2-diaminoethyl)-2,6-difluorophenol
CID 55272259
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 77131117
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409
4-[(1S)-1-aminopent-4-enyl]-2,6-dichlorophenol
CID 171224819
3,5-dichloro-4-(1,2-diaminoethyl)phenol
CID 10100975

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The IUPAC name of 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride (CID 171224788) is 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride.
What is the SMILES notation for 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The canonical SMILES for 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride is Cl.NC[C@H](N)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
The InChIKey is ISTMQKFCRNCNMS-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10Cl2N2O.ClH/c9-5-1-4(7(12)3-11)2-6(10)8(5)13;/h1-2,7,13H,3,11-12H2;1H/t7-;/m0./s1.
What are the key properties of 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride?
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride has a molecular weight of 257.55 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride is sourced from PubChem (CID 171224788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).