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

C9H13Cl3N2 — CID 171204529

IUPAC(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2.ClH/c10-7-3-1-2-6(9(7)11)8(13)4-5-12;/h1-3,8H,4-5,12-13H2;1H/t8-;/m1./s1
InChIKeyJQIFSEPEMLWXBV-DDWIOCJRSA-N
MW255.58 g/mol
LogP2.76
Rot. Bonds3

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

(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171204529) has the molecular formula C9H13Cl3N2 and a molecular weight of 255.58 g/mol. Its IUPAC name is (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
PubChem CID171204529
Molecular FormulaC9H13Cl3N2
Molecular Weight255.58 g/mol
Exact Mass254.01
IUPAC Name(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H12Cl2N2.ClH/c10-7-3-1-2-6(9(7)11)8(13)4-5-12;/h1-3,8H,4-5,12-13H2;1H/t8-;/m1./s1
InChIKeyJQIFSEPEMLWXBV-DDWIOCJRSA-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

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Related Compounds

(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
(1R)-1-(2,3-dichlorophenyl)pentan-1-amine
CID 171204538
1-(2,3-dichlorophenyl)undecan-1-amine
CID 115846022
(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171204537
1-(2,3-dichlorophenyl)-4-methoxybutan-1-amine
CID 65092620
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
(1R)-1-(3-chloro-2-fluorophenyl)butane-1,4-diamine
CID 171209299
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 171228970
(2,3-dichlorophenyl)methanediamine
CID 139660481
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride (CID 171204529) is (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride is Cl.NCC[C@@H](N)c1cccc(Cl)c1Cl.
What is the InChIKey of (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is JQIFSEPEMLWXBV-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12Cl2N2.ClH/c10-7-3-1-2-6(9(7)11)8(13)4-5-12;/h1-3,8H,4-5,12-13H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride?
(1R)-1-(2,3-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-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171204529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).