(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

C17H19BrFN — CID 43097769

IUPAC(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C17H19BrFN/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8,17H,20H2,1-4H3
InChIKeyWZSRSKPIANWBSC-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine

(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (PubChem CID 43097769) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
PubChem CID43097769
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine
SMILESCc1cc(C)c(C)c(C(N)c2cc(Br)ccc2F)c1C
InChIInChI=1S/C17H19BrFN/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8,17H,20H2,1-4H3
InChIKeyWZSRSKPIANWBSC-UHFFFAOYSA-N
XLogP4.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-Bromo-2-fluorophenyl)(phenyl)methanamine hydrochloride
CID 45791636
1-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-amine
CID 77128631
(3-Bromo-2,4-dimethylphenyl)methanamine hydrochloride
CID 132342229
(1R)-1-(4-bromo-5-fluoro-2-methylphenyl)ethan-1-amine hydrochloride
CID 132353793
(1S)-1-(4-bromo-5-fluoro-2-methylphenyl)ethan-1-amine hydrochloride
CID 132398629
(4-Bromo-2-fluorophenyl)(phenyl)methanamine
CID 24690813
(1S)-1-(3-bromo-4-fluorophenyl)ethan-1-amine
CID 25324474
(3-Bromophenyl)(3-fluorophenyl)methanamine
CID 60819846
[2-(4-Fluoro-3-methylphenyl)-4,6-dimethylphenyl]methanamine
CID 14750092
1-[2-(3-Fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
CID 18357519
1-[2-(2-Fluoro-4-methylphenyl)phenyl]but-3-en-1-amine
CID 18357580
[2-(4-Fluorophenyl)-4,6-dimethylphenyl]methanamine
CID 19807626

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine (CID 43097769) is (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is Cc1cc(C)c(C)c(C(N)c2cc(Br)ccc2F)c1C.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
The InChIKey is WZSRSKPIANWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-9-7-10(2)12(4)16(11(9)3)17(20)14-8-13(18)5-6-15(14)19/h5-8,17H,20H2,1-4H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine?
(5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2,3,5,6-tetramethylphenyl)methanamine is sourced from PubChem (CID 43097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).