(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine

C14H13BrFN — CID 62791686

IUPAC(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrFN/c1-9-8-12(16)6-7-13(9)14(17)10-2-4-11(15)5-3-10/h2-8,14H,17H2,1H3
InChIKeyYFLRKXICTLSZOP-UHFFFAOYSA-N
MW294.17 g/mol
LogP3.94
Rot. Bonds2

About (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine

(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 62791686) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID62791686
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC Name(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrFN/c1-9-8-12(16)6-7-13(9)14(17)10-2-4-11(15)5-3-10/h2-8,14H,17H2,1H3
InChIKeyYFLRKXICTLSZOP-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 81270225
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-fluoro-2-methylphenyl)-(2-fluorophenyl)methanamine
CID 63084229
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
(4-bromophenyl)-[2,4-di(propan-2-yl)phenyl]methanamine
CID 43110162

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine (CID 62791686) is (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is YFLRKXICTLSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-9-8-12(16)6-7-13(9)14(17)10-2-4-11(15)5-3-10/h2-8,14H,17H2,1H3.
What are the key properties of (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine?
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 294.17 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 62791686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).