(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C15H14BrFN2 — CID 105009945

IUPAC(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H14BrFN2/c16-12-6-4-10(8-13(12)17)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2
InChIKeyXTFZHVAWISGAGJ-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.71
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 105009945) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID105009945
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC Name(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(c1ccc(Br)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H14BrFN2/c16-12-6-4-10(8-13(12)17)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2
InChIKeyXTFZHVAWISGAGJ-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine 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

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-fluorophenyl)methanamine
CID 79745535
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(naphthalen-2-yl)methanamine
CID 79732489
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009692
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 79732380
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899
(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
(2-bromo-5-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007448
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 81447185
N-(4-bromo-3-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773903
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 105009945) is (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is NC(c1ccc(Br)c(F)c1)C1CCc2cccnc21.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is XTFZHVAWISGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2/c16-12-6-4-10(8-13(12)17)14(18)11-5-3-9-2-1-7-19-15(9)11/h1-2,4,6-8,11,14H,3,5,18H2.
What are the key properties of (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 321.19 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 (4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 105009945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).