(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2 — CID 114069110

IUPAC(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@@H](C)N)c(Br)c2)C1C
InChIInChI=1S/C15H23BrN2/c1-10-5-4-8-18(12(10)3)13-6-7-14(11(2)17)15(16)9-13/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m1/s1
InChIKeyDEXHZKITZIIOSY-MOENNCHZSA-N
MW311.27 g/mol
LogP4.09
Rot. Bonds2

About (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine

(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 114069110) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID114069110
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc([C@@H](C)N)c(Br)c2)C1C
InChIInChI=1S/C15H23BrN2/c1-10-5-4-8-18(12(10)3)13-6-7-14(11(2)17)15(16)9-13/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m1/s1
InChIKeyDEXHZKITZIIOSY-MOENNCHZSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine (CID 114069110) is (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine is CC1CCCN(c2ccc([C@@H](C)N)c(Br)c2)C1C.
What is the InChIKey of (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is DEXHZKITZIIOSY-MOENNCHZSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-10-5-4-8-18(12(10)3)13-6-7-14(11(2)17)15(16)9-13/h6-7,9-12H,4-5,8,17H2,1-3H3/t10?,11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-bromo-4-(2,3-dimethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114069110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).