(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine

C17H19BrFN — CID 106648227

IUPAC(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2cccc(Br)c2F)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-10,16H,20H2,1-3H3
InChIKeySLBQAHSAOIXRPS-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.93
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine

(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine (PubChem CID 106648227) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
PubChem CID106648227
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2cccc(Br)c2F)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-10,16H,20H2,1-3H3
InChIKeySLBQAHSAOIXRPS-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477384
(3-bromo-2-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 106647644
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
(3-bromo-2-fluorophenyl)-(4-tert-butylthiadiazol-5-yl)methanamine
CID 106647587
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
1-(3-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 106647656

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine (CID 106648227) is (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2cccc(Br)c2F)cc1.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The InChIKey is SLBQAHSAOIXRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-17(2,3)12-9-7-11(8-10-12)16(20)13-5-4-6-14(18)15(13)19/h4-10,16H,20H2,1-3H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 106648227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).