2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine

C15H23BrN2 — CID 43266358

IUPAC2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-2-14-8-3-4-9-18(14)15(11-17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyNLOOVIXAJAEZAX-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine

2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine (PubChem CID 43266358) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
PubChem CID43266358
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCCCN1C(CN)c1cccc(Br)c1
InChIInChI=1S/C15H23BrN2/c1-2-14-8-3-4-9-18(14)15(11-17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3
InChIKeyNLOOVIXAJAEZAX-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidin-1-yl)-2-phenylethanamine
CID 43266409
2-(3,4-dimethylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689217
2-(3-bromo-4-methylphenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 105405177
3-[1-[2-amino-1-(3-bromophenyl)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62469480
2-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266330
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 43266345
2-(2-ethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 43266319
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
2-[4-(difluoromethyl)phenyl]-2-(2-ethylazepan-1-yl)ethanamine
CID 104689206
2-(4-cyclopropylphenyl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 79984560
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
2-(2-ethylpiperidin-1-yl)-2-(4-propan-2-yloxyphenyl)ethanamine
CID 60916800

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine (CID 43266358) is 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine is CCC1CCCCN1C(CN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
The InChIKey is NLOOVIXAJAEZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-14-8-3-4-9-18(14)15(11-17)12-6-5-7-13(16)10-12/h5-7,10,14-15H,2-4,8-9,11,17H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine?
2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(2-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 43266358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).