(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine

C9H12Cl2N2 — CID 131122702

IUPAC(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyRAVHCDUYAMTKCJ-SECBINFHSA-N
MW219.12 g/mol
LogP2.34
Rot. Bonds3

About (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine

(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine (PubChem CID 131122702) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
PubChem CID131122702
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
SMILESNCC[C@@H](N)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1
InChIKeyRAVHCDUYAMTKCJ-SECBINFHSA-N
XLogP2.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,5-dichlorophenyl)pentane-1,5-diamine
CID 171202730
(1R)-1-(2,5-dichlorophenyl)-3-fluoropropan-1-amine
CID 131460461
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
1-(2,5-dichlorophenyl)-3-methoxypropan-1-amine
CID 62790378
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
(1S)-1-(2,5-dichlorophenyl)propan-1-amine
CID 26342063
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
5-amino-5-(2,5-dichlorophenyl)pentanoic acid
CID 43344691
1-(5-chloro-2-fluorophenyl)butane-1,4-diamine
CID 116933749
1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
(1R)-1-(2-chloro-5-fluorophenyl)pentane-1,5-diamine
CID 171204613
1-(2,5-dichlorophenyl)-3-ethylpentan-1-amine
CID 105028229

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine (CID 131122702) is (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine is NCC[C@@H](N)c1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine?
The InChIKey is RAVHCDUYAMTKCJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c10-6-1-2-8(11)7(5-6)9(13)3-4-12/h1-2,5,9H,3-4,12-13H2/t9-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine?
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine has a molecular weight of 219.12 g/mol, XLogP of 2.34, 3 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)propane-1,3-diamine is sourced from PubChem (CID 131122702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).