(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine

C18H15BrFN — CID 107982030

IUPAC(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESCc1cccc(C(N)c2ccc(F)c3ccccc23)c1Br
InChIInChI=1S/C18H15BrFN/c1-11-5-4-8-15(17(11)19)18(21)14-9-10-16(20)13-7-3-2-6-12(13)14/h2-10,18H,21H2,1H3
InChIKeyIUIBXFLZRQVIRH-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.10
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine

(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine (PubChem CID 107982030) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
PubChem CID107982030
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine
SMILESCc1cccc(C(N)c2ccc(F)c3ccccc23)c1Br
InChIInChI=1S/C18H15BrFN/c1-11-5-4-8-15(17(11)19)18(21)14-9-10-16(20)13-7-3-2-6-12(13)14/h2-10,18H,21H2,1H3
InChIKeyIUIBXFLZRQVIRH-UHFFFAOYSA-N
XLogP5.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985209
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(2-bromo-3-methylphenyl)-quinolin-5-ylmethanamine
CID 107985270
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(1R)-1-(2-bromo-3-methylphenyl)ethanamine
CID 96955711
[(2-bromo-3-methylphenyl)-(2-fluorophenyl)methyl]hydrazine
CID 107985973
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The IUPAC name of (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine (CID 107982030) is (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The canonical SMILES for (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine is Cc1cccc(C(N)c2ccc(F)c3ccccc23)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine?
The InChIKey is IUIBXFLZRQVIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-11-5-4-8-15(17(11)19)18(21)14-9-10-16(20)13-7-3-2-6-12(13)14/h2-10,18H,21H2,1H3.
What are the key properties of (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine?
(2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine has a molecular weight of 344.23 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(4-fluoronaphthalen-1-yl)methanamine is sourced from PubChem (CID 107982030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).