1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine

C14H21BrN2 — CID 82971938

IUPAC1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc(Br)cc2C(C)N)C1
InChIInChI=1S/C14H21BrN2/c1-10-4-3-7-17(9-10)14-6-5-12(15)8-13(14)11(2)16/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMMFJHLJRLMPZBU-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.71
Rot. Bonds2

About 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine

1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 82971938) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID82971938
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN(c2ccc(Br)cc2C(C)N)C1
InChIInChI=1S/C14H21BrN2/c1-10-4-3-7-17(9-10)14-6-5-12(15)8-13(14)11(2)16/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyMMFJHLJRLMPZBU-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-(3-ethylpiperidin-1-yl)phenyl]ethanamine
CID 82972274
1-[2-(1-aminoethyl)-4-bromophenyl]-4-methylpiperidin-3-ol
CID 102958926
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromophenyl]ethanamine
CID 82968823
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]ethanol
CID 82970945
5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114892354
1-[5-bromo-2-(4-cyclopropylpiperazin-1-yl)phenyl]ethanamine
CID 82972368
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867
1-[2-(1-aminoethyl)-4-bromophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 82968401
4-[2-(1-aminoethyl)-4-bromophenyl]morpholine-2-carbonitrile
CID 82968886

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine (CID 82971938) is 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine is CC1CCCN(c2ccc(Br)cc2C(C)N)C1.
What is the InChIKey of 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is MMFJHLJRLMPZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10-4-3-7-17(9-10)14-6-5-12(15)8-13(14)11(2)16/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82971938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).