(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine

C11H18N2 — CID 130869283

IUPAC(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
SMILESCc1cccc([C@H](N)CCN)c1C
InChIInChI=1S/C11H18N2/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5,11H,6-7,12-13H2,1-2H3/t11-/m1/s1
InChIKeyMRBKUOURUJSTKB-LLVKDONJSA-N
MW178.28 g/mol
LogP1.65
Rot. Bonds3

About (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine

(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine (PubChem CID 130869283) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
PubChem CID130869283
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
SMILESCc1cccc([C@H](N)CCN)c1C
InChIInChI=1S/C11H18N2/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5,11H,6-7,12-13H2,1-2H3/t11-/m1/s1
InChIKeyMRBKUOURUJSTKB-LLVKDONJSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
(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
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine?
The IUPAC name of (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine (CID 130869283) is (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine?
The canonical SMILES for (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine is Cc1cccc([C@H](N)CCN)c1C.
What is the InChIKey of (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine?
The InChIKey is MRBKUOURUJSTKB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2/c1-8-4-3-5-10(9(8)2)11(13)6-7-12/h3-5,11H,6-7,12-13H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine?
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.65, 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-dimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 130869283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).