(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

C18H21BrFN — CID 66257417

IUPAC(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H21BrFN/c1-4-18(2,3)14-7-5-12(6-8-14)17(21)13-9-15(19)11-16(20)10-13/h5-11,17H,4,21H2,1-3H3
InChIKeyKGFMYTPDSGCNBF-UHFFFAOYSA-N
MW350.28 g/mol
LogP5.32
Rot. Bonds4

About (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine

(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (PubChem CID 66257417) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
PubChem CID66257417
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
SMILESCCC(C)(C)c1ccc(C(N)c2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H21BrFN/c1-4-18(2,3)14-7-5-12(6-8-14)17(21)13-9-15(19)11-16(20)10-13/h5-11,17H,4,21H2,1-3H3
InChIKeyKGFMYTPDSGCNBF-UHFFFAOYSA-N
XLogP5.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.28
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine (CID 66257417) is (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is CCC(C)(C)c1ccc(C(N)c2cc(F)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
The InChIKey is KGFMYTPDSGCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-4-18(2,3)14-7-5-12(6-8-14)17(21)13-9-15(19)11-16(20)10-13/h5-11,17H,4,21H2,1-3H3.
What are the key properties of (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine?
(3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine has a molecular weight of 350.28 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 66257417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).