1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine

C15H21BrFN3 — CID 104776336

IUPAC1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
SMILESNCC1(Nc2ccc(F)c(Br)c2)CCN2CCCCC21
InChIInChI=1S/C15H21BrFN3/c16-12-9-11(4-5-13(12)17)19-15(10-18)6-8-20-7-2-1-3-14(15)20/h4-5,9,14,19H,1-3,6-8,10,18H2
InChIKeyWOZNSLUALDPNOG-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.96
Rot. Bonds3

About 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine

1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine (PubChem CID 104776336) has the molecular formula C15H21BrFN3 and a molecular weight of 342.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
PubChem CID104776336
Molecular FormulaC15H21BrFN3
Molecular Weight342.26 g/mol
Exact Mass341.09
IUPAC Name1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
SMILESNCC1(Nc2ccc(F)c(Br)c2)CCN2CCCCC21
InChIInChI=1S/C15H21BrFN3/c16-12-9-11(4-5-13(12)17)19-15(10-18)6-8-20-7-2-1-3-14(15)20/h4-5,9,14,19H,1-3,6-8,10,18H2
InChIKeyWOZNSLUALDPNOG-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine with MolForge

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Related Compounds

1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 114839118
3-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 104776450
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
CID 104776301
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776358
[1-(3-bromoanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82857123
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)piperidine-1-sulfonamide
CID 106078254
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
N-(3-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 115663199
N-(3-bromo-4-fluorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 104776290
3-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-5,5-dimethylthian-3-amine
CID 104776489
3-bromo-N-[(4-cyclopropylphenyl)methyl]-4-fluoroaniline
CID 104776123

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine (CID 104776336) is 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine is NCC1(Nc2ccc(F)c(Br)c2)CCN2CCCCC21.
What is the InChIKey of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
The InChIKey is WOZNSLUALDPNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3/c16-12-9-11(4-5-13(12)17)19-15(10-18)6-8-20-7-2-1-3-14(15)20/h4-5,9,14,19H,1-3,6-8,10,18H2.
What are the key properties of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine?
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine has a molecular weight of 342.26 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine is sourced from PubChem (CID 104776336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).