2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline

C17H20BrFN2 — CID 63815629

IUPAC2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(C)c1ccc(F)cc1
InChIInChI=1S/C17H20BrFN2/c1-3-15(20)10-12-4-5-13(18)11-17(12)21(2)16-8-6-14(19)7-9-16/h4-9,11,15H,3,10,20H2,1-2H3
InChIKeySRBPKIJVOVGORH-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.64
Rot. Bonds5

About 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline

2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline (PubChem CID 63815629) has the molecular formula C17H20BrFN2 and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
PubChem CID63815629
Molecular FormulaC17H20BrFN2
Molecular Weight351.26 g/mol
Exact Mass350.08
IUPAC Name2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline
SMILESCCC(N)Cc1ccc(Br)cc1N(C)c1ccc(F)cc1
InChIInChI=1S/C17H20BrFN2/c1-3-15(20)10-12-4-5-13(18)11-17(12)21(2)16-8-6-14(19)7-9-16/h4-9,11,15H,3,10,20H2,1-2H3
InChIKeySRBPKIJVOVGORH-UHFFFAOYSA-N
XLogP4.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminobutyl)-5-bromo-N-cyclopropyl-N-methylaniline
CID 55235438
2-(2-aminobutyl)-5-bromo-N,N-diethylaniline
CID 63787244
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylbutyl)aniline
CID 55235251
2-(2-aminobutyl)-5-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81067248
2-(2-aminobutyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 63817422
N'-[2-(2-aminobutyl)-5-bromophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63793805
2-(2-aminopropyl)-5-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 114861214
2-(aminomethyl)-5-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 55221393
2-(2-aminobutyl)-5-bromo-N-methyl-N-(2-methylsulfonylethyl)aniline
CID 79859437
2-(2-aminobutyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 63786995
1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[2-(5-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 114677108

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline (CID 63815629) is 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline is CCC(N)Cc1ccc(Br)cc1N(C)c1ccc(F)cc1.
What is the InChIKey of 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline?
The InChIKey is SRBPKIJVOVGORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN2/c1-3-15(20)10-12-4-5-13(18)11-17(12)21(2)16-8-6-14(19)7-9-16/h4-9,11,15H,3,10,20H2,1-2H3.
What are the key properties of 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline?
2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline has a molecular weight of 351.26 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)-5-bromo-N-(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 63815629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).