(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine

C11H16Cl2N2 — CID 171202730

IUPAC(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-8-4-5-10(13)9(7-8)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m1/s1
InChIKeyGDBOTVLEFTUHDL-LLVKDONJSA-N
MW247.17 g/mol
LogP3.12
Rot. Bonds5

About (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine

(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine (PubChem CID 171202730) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
PubChem CID171202730
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2/c12-8-4-5-10(13)9(7-8)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m1/s1
InChIKeyGDBOTVLEFTUHDL-LLVKDONJSA-N
XLogP3.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171224187
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1S)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171224188
(1S)-1-(4-chloro-2-fluorophenyl)pentane-1,5-diamine
CID 171222468
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
(1R)-1-(2-chloro-4-fluorophenyl)pentane-1,5-diamine
CID 171204201
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine (CID 171202730) is (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine is NCCCC[C@@H](N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine?
The InChIKey is GDBOTVLEFTUHDL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c12-8-4-5-10(13)9(7-8)11(15)3-1-2-6-14/h4-5,7,11H,1-3,6,14-15H2/t11-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine?
(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine has a molecular weight of 247.17 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine is sourced from PubChem (CID 171202730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).