(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride

C11H19ClN2 — CID 171222107

IUPAC(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1cccc([C@@H](N)CCN)c1C.Cl
InChIInChI=1S/C11H18N2.ClH/c1-8-4-3-5-10(9(8)2)11(13)6-7-12;/h3-5,11H,6-7,12-13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKHCFNRYRRSIZEX-MERQFXBCSA-N
MW214.74 g/mol
LogP2.07
Rot. Bonds3

About (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride

(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride (PubChem CID 171222107) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
PubChem CID171222107
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
SMILESCc1cccc([C@@H](N)CCN)c1C.Cl
InChIInChI=1S/C11H18N2.ClH/c1-8-4-3-5-10(9(8)2)11(13)6-7-12;/h3-5,11H,6-7,12-13H2,1-2H3;1H/t11-;/m0./s1
InChIKeyKHCFNRYRRSIZEX-MERQFXBCSA-N
XLogP2.07
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(3-fluoro-2-methylphenyl)propane-1,3-diamine
CID 131199254
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875
1-(2,3-dimethylphenyl)-3-(furan-2-yl)propan-1-amine
CID 105140596
1-(2,3-dimethylphenyl)oct-7-en-1-amine
CID 107011723
(1R)-1-(3-fluoro-2-methylphenyl)pentane-1,5-diamine;hydrochloride
CID 171203806

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride (CID 171222107) is (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride is Cc1cccc([C@@H](N)CCN)c1C.Cl.
What is the InChIKey of (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride?
The InChIKey is KHCFNRYRRSIZEX-MERQFXBCSA-N. The full InChI is InChI=1S/C11H18N2.ClH/c1-8-4-3-5-10(9(8)2)11(13)6-7-12;/h3-5,11H,6-7,12-13H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride?
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride has a molecular weight of 214.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171222107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).