(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine

C15H23BrN2 — CID 63368268

IUPAC(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCCCN1c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H23BrN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(11(2)17)10-14(15)16/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m0/s1
InChIKeyXRLNNWYQXHOMQP-AMGKYWFPSA-N
MW311.27 g/mol
LogP4.24
Rot. Bonds3

About (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine

(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 63368268) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
PubChem CID63368268
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
SMILESCCC1CCCCN1c1ccc([C@H](C)N)cc1Br
InChIInChI=1S/C15H23BrN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(11(2)17)10-14(15)16/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m0/s1
InChIKeyXRLNNWYQXHOMQP-AMGKYWFPSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
(1S)-1-[3-bromo-4-(2-ethylpyrrolidin-1-yl)phenyl]ethanol
CID 78939883
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
(1R)-1-[3-bromo-4-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 104891570
1-[3-bromo-4-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056041
1-[2-(2-ethylazepan-1-yl)-4-pyridinyl]ethanamine
CID 104690178
(1R)-1-[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 63368240
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690625
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-bromophenyl]ethanamine
CID 62913085
(1R)-1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]ethanol
CID 55184827
1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]-N-methylethanamine
CID 104690188

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine (CID 63368268) is (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine is CCC1CCCCN1c1ccc([C@H](C)N)cc1Br.
What is the InChIKey of (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is XRLNNWYQXHOMQP-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-13-6-4-5-9-18(13)15-8-7-12(11(2)17)10-14(15)16/h7-8,10-11,13H,3-6,9,17H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine?
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 311.27 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63368268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).