(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2 — CID 114069005

IUPAC(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCN(c2ccc([C@@H](C)N)c(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-12-6-8-18(9-7-12)13-4-5-14(11(2)17)15(16)10-13/h4-5,10-12H,3,6-9,17H2,1-2H3/t11-/m1/s1
InChIKeyVWRUQEVVULMUMM-LLVKDONJSA-N
MW311.27 g/mol
LogP4.10
Rot. Bonds3

About (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine

(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 114069005) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID114069005
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCN(c2ccc([C@@H](C)N)c(Br)c2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-12-6-8-18(9-7-12)13-4-5-14(11(2)17)15(16)10-13/h4-5,10-12H,3,6-9,17H2,1-2H3/t11-/m1/s1
InChIKeyVWRUQEVVULMUMM-LLVKDONJSA-N
XLogP4.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.10
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-(4-ethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine (CID 114069005) is (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine is CCC1CCN(c2ccc([C@@H](C)N)c(Br)c2)CC1.
What is the InChIKey of (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is VWRUQEVVULMUMM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-12-6-8-18(9-7-12)13-4-5-14(11(2)17)15(16)10-13/h4-5,10-12H,3,6-9,17H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine?
(1R)-1-[2-bromo-4-(4-ethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.10, 3 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-(4-ethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114069005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).