(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride

C9H13Cl3N2 — CID 171212529

IUPAC(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2.ClH/c10-6-1-2-7(8(11)5-6)9(13)3-4-12;/h1-2,5,9H,3-4,12-13H2;1H/t9-;/m1./s1
InChIKeyHIQKFTDYDLDWFT-SBSPUUFOSA-N
MW255.58 g/mol
LogP2.76
Rot. Bonds3

About (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride

(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171212529) has the molecular formula C9H13Cl3N2 and a molecular weight of 255.58 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
PubChem CID171212529
Molecular FormulaC9H13Cl3N2
Molecular Weight255.58 g/mol
Exact Mass254.01
IUPAC Name(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N2.ClH/c10-6-1-2-7(8(11)5-6)9(13)3-4-12;/h1-2,5,9H,3-4,12-13H2;1H/t9-;/m1./s1
InChIKeyHIQKFTDYDLDWFT-SBSPUUFOSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.58
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
(3R)-3-(2,4-dichlorophenyl)butan-1-amine
CID 95914063
(1R)-1-(2,5-dichlorophenyl)propane-1,3-diamine
CID 131122702
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
(1R)-1-(2,4-dichlorophenyl)-3,3-difluoropropan-1-amine
CID 131456103
1-(2,4-dichlorophenyl)hexa-4,5-dien-1-amine
CID 15527266
4-amino-1-(2,4-dichlorophenyl)butane-1,2-diol
CID 171880819
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride (CID 171212529) is (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@@H](N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is HIQKFTDYDLDWFT-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H12Cl2N2.ClH/c10-6-1-2-7(8(11)5-6)9(13)3-4-12;/h1-2,5,9H,3-4,12-13H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 255.58 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171212529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).