N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine

C13H19BrFN — CID 55220419

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-3-5-8-16(4-2)10-11-6-7-13(15)12(14)9-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyVTVLBWVWTVUHGK-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine

N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine (PubChem CID 55220419) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
PubChem CID55220419
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C13H19BrFN/c1-3-5-8-16(4-2)10-11-6-7-13(15)12(14)9-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyVTVLBWVWTVUHGK-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193
N-[(3-bromo-4-fluorophenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389228
N'-[(3-bromo-4-fluorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2846037
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylbutan-1-amine
CID 114011928
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylbutan-1-amine
CID 106268403
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844
4-[[butyl(ethyl)amino]methyl]-2,6-difluorophenol
CID 82975285
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
2-[(3-bromo-4-fluorophenyl)methyl-ethylamino]-N-methylacetamide
CID 61067005
N-ethyl-N-[(4-fluoro-3-piperazin-1-ylphenyl)methyl]butan-1-amine
CID 84753155
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine (CID 55220419) is N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1ccc(F)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine?
The InChIKey is VTVLBWVWTVUHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-3-5-8-16(4-2)10-11-6-7-13(15)12(14)9-11/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 55220419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).