4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline

C15H16BrFN2 — CID 105167442

IUPAC4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H16BrFN2/c1-19(2)12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15H,18H2,1-2H3
InChIKeyBFNVOHACCPRRAI-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.70
Rot. Bonds3

About 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline

4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline (PubChem CID 105167442) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
PubChem CID105167442
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C15H16BrFN2/c1-19(2)12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15H,18H2,1-2H3
InChIKeyBFNVOHACCPRRAI-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249
4-[(5-bromo-2-fluorophenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105323075
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
4-[amino-(2,3-difluoro-4-methylphenyl)methyl]-N,N-dimethylaniline
CID 107515261
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162
(5-bromo-2-fluorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105113633
4-[(5-bromo-2-chlorophenyl)-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 54336392
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(4-bromo-2-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197612
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
(5-chloro-2-fluorophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625242
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline (CID 105167442) is 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline is CN(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline?
The InChIKey is BFNVOHACCPRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(2)12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9,15H,18H2,1-2H3.
What are the key properties of 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline?
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline has a molecular weight of 323.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105167442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).