(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride

C10H15Cl3N2 — CID 171197917

IUPAC(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2.ClH/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13;/h1,3-4,9H,2,5-6,13-14H2;1H/t9-;/m1./s1
InChIKeyZZPZZLUQVYTHIB-SBSPUUFOSA-N
MW269.60 g/mol
LogP3.15
Rot. Bonds4

About (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride

(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride (PubChem CID 171197917) has the molecular formula C10H15Cl3N2 and a molecular weight of 269.60 g/mol. Its IUPAC name is (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
PubChem CID171197917
Molecular FormulaC10H15Cl3N2
Molecular Weight269.60 g/mol
Exact Mass268.03
IUPAC Name(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H14Cl2N2.ClH/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13;/h1,3-4,9H,2,5-6,13-14H2;1H/t9-;/m1./s1
InChIKeyZZPZZLUQVYTHIB-SBSPUUFOSA-N
XLogP3.15
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.60
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
CID 171217462
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
4-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
1-(2,6-dichlorophenyl)hex-5-en-1-amine
CID 104986705
(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
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)butane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride (CID 171197917) is (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1c(Cl)cccc1Cl.
What is the InChIKey of (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride?
The InChIKey is ZZPZZLUQVYTHIB-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H14Cl2N2.ClH/c11-7-3-1-4-8(12)10(7)9(14)5-2-6-13;/h1,3-4,9H,2,5-6,13-14H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride?
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride has a molecular weight of 269.60 g/mol, XLogP of 3.15, 4 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)butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171197917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).