(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

C16H16BrF2NO — CID 83044020

IUPAC(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2c(F)cc(Br)cc2F)cc1C
InChIInChI=1S/C16H16BrF2NO/c1-8-4-10(5-9(2)16(8)21-3)15(20)14-12(18)6-11(17)7-13(14)19/h4-7,15H,20H2,1-3H3
InChIKeyKHZZHOJHEMGYFX-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.40
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 83044020) has the molecular formula C16H16BrF2NO and a molecular weight of 356.21 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID83044020
Molecular FormulaC16H16BrF2NO
Molecular Weight356.21 g/mol
Exact Mass355.04
IUPAC Name(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2c(F)cc(Br)cc2F)cc1C
InChIInChI=1S/C16H16BrF2NO/c1-8-4-10(5-9(2)16(8)21-3)15(20)14-12(18)6-11(17)7-13(14)19/h4-7,15H,20H2,1-3H3
InChIKeyKHZZHOJHEMGYFX-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
(4-methoxy-3,5-dimethylphenyl)-(4-methylphenyl)methanamine
CID 83056835
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1-(3-bromo-5-fluorophenyl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83045108
(4-methoxy-3,5-dimethylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 83056768
2-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 83048005
(4-bromo-2,6-difluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483678
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 83044020) is (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)c2c(F)cc(Br)cc2F)cc1C.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is KHZZHOJHEMGYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2NO/c1-8-4-10(5-9(2)16(8)21-3)15(20)14-12(18)6-11(17)7-13(14)19/h4-7,15H,20H2,1-3H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 356.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 83044020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).