N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline

C14H14BrFN2 — CID 113228063

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cncc(Br)c1)c1ccccc1F
InChIInChI=1S/C14H14BrFN2/c1-2-18(14-6-4-3-5-13(14)16)10-11-7-12(15)9-17-8-11/h3-9H,2,10H2,1H3
InChIKeyDDTTYQOOPSLKDA-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.01
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline

N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline (PubChem CID 113228063) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
PubChem CID113228063
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
SMILESCCN(Cc1cncc(Br)c1)c1ccccc1F
InChIInChI=1S/C14H14BrFN2/c1-2-18(14-6-4-3-5-13(14)16)10-11-7-12(15)9-17-8-11/h3-9H,2,10H2,1H3
InChIKeyDDTTYQOOPSLKDA-UHFFFAOYSA-N
XLogP4.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline 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

N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
CID 79706205
3-N-[(5-bromo-3-pyridinyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 113454392
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
CID 104802643
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
5-bromo-N-ethyl-N-(2-fluorophenyl)-3-methylpyridin-2-amine
CID 113367248
N'-ethyl-N'-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62555848
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104811260

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline (CID 113228063) is N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline is CCN(Cc1cncc(Br)c1)c1ccccc1F.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
The InChIKey is DDTTYQOOPSLKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c1-2-18(14-6-4-3-5-13(14)16)10-11-7-12(15)9-17-8-11/h3-9H,2,10H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline?
N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline has a molecular weight of 309.18 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 113228063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).