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

C17H19BrFN — CID 79746427

IUPAC(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)13-7-4-11(5-8-13)16(20)12-6-9-15(19)14(18)10-12/h4-10,16H,20H2,1-3H3
InChIKeyQJTLPBVPAUOFAR-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.93
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine (PubChem CID 79746427) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
PubChem CID79746427
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)13-7-4-11(5-8-13)16(20)12-6-9-15(19)14(18)10-12/h4-10,16H,20H2,1-3H3
InChIKeyQJTLPBVPAUOFAR-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

(3-bromo-4-fluorophenyl)-(4-iodophenyl)methanamine
CID 79746840
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674
(2-bromo-3,4-difluorophenyl)-(4-tert-butylphenyl)methanamine
CID 107538899
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(3-bromo-4-fluorophenyl)-(3-chloro-4-iodophenyl)methanamine
CID 103220431
(2-bromo-6-fluorophenyl)-(3-bromo-4-fluorophenyl)methanamine
CID 114559070
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
(3-bromo-4-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 79747415

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine (CID 79746427) is (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The InChIKey is QJTLPBVPAUOFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-17(2,3)13-7-4-11(5-8-13)16(20)12-6-9-15(19)14(18)10-12/h4-10,16H,20H2,1-3H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine?
(3-bromo-4-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-4-fluorophenyl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 79746427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).