(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride

C8H11Cl3N2 — CID 171217423

IUPAC(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1
InChIKeyLWFWBCFVRMVVBZ-FJXQXJEOSA-N
MW241.55 g/mol
LogP2.37
Rot. Bonds2

About (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride

(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 171217423) has the molecular formula C8H11Cl3N2 and a molecular weight of 241.55 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
PubChem CID171217423
Molecular FormulaC8H11Cl3N2
Molecular Weight241.55 g/mol
Exact Mass240.00
IUPAC Name(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
SMILESCl.NC[C@H](N)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H10Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1
InChIKeyLWFWBCFVRMVVBZ-FJXQXJEOSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.55
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(1S)-1,2-diaminoethyl]phenol
CID 55277698
(1S)-1-(2-bromo-6-chlorophenyl)ethane-1,2-diamine
CID 131086535
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
3-chloro-2-[(1R)-1,2-diaminoethyl]benzoic acid
CID 130632959
(1R)-1-(2,3,6-trichlorophenyl)ethane-1,2-diamine
CID 130714145
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171197929
(1R)-1-(2,6-dichlorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313419
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride (CID 171217423) is (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride is Cl.NC[C@H](N)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is LWFWBCFVRMVVBZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10Cl2N2.ClH/c9-5-2-1-3-6(10)8(5)7(12)4-11;/h1-3,7H,4,11-12H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride?
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 241.55 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 171217423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).