1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine

C18H16BrN3 — CID 57425763

IUPAC1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
SMILESNC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C18H16BrN3/c19-16-7-1-4-13(10-16)18(20)17(14-5-2-8-21-11-14)15-6-3-9-22-12-15/h1-12,17-18H,20H2
InChIKeyKTTRJFMNHJSHHW-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine

1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine (PubChem CID 57425763) has the molecular formula C18H16BrN3 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
PubChem CID57425763
Molecular FormulaC18H16BrN3
Molecular Weight354.25 g/mol
Exact Mass353.05
IUPAC Name1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine
SMILESNC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1
InChIInChI=1S/C18H16BrN3/c19-16-7-1-4-13(10-16)18(20)17(14-5-2-8-21-11-14)15-6-3-9-22-12-15/h1-12,17-18H,20H2
InChIKeyKTTRJFMNHJSHHW-UHFFFAOYSA-N
XLogP4.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-1-pyridin-3-ylethanamine
CID 60923262
1-(3-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79139230
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-(3-bromophenyl)-2-pyridin-3-ylacetaldehyde;hydrobromide
CID 88752920
1-(3-bromophenyl)-2,2-difluoroethanamine
CID 84699210
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
amino(pyridin-3-yl)methanethiol
CID 116939546
N-(3-bromophenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378943
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
(4-bromo-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114906176
1-[1-(3-bromophenyl)-2,2-dipyridin-3-ylethyl]-3-phenylurea
CID 66962975

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine (CID 57425763) is 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine is NC(c1cccc(Br)c1)C(c1cccnc1)c1cccnc1.
What is the InChIKey of 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine?
The InChIKey is KTTRJFMNHJSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3/c19-16-7-1-4-13(10-16)18(20)17(14-5-2-8-21-11-14)15-6-3-9-22-12-15/h1-12,17-18H,20H2.
What are the key properties of 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine?
1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine has a molecular weight of 354.25 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,2-dipyridin-3-ylethanamine is sourced from PubChem (CID 57425763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).