(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine

C18H15BrFN — CID 115852564

IUPAC(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H15BrFN/c1-11-8-16(20)6-7-17(11)18(21)14-3-2-13-10-15(19)5-4-12(13)9-14/h2-10,18H,21H2,1H3
InChIKeyRNBYONSOHIHURM-UHFFFAOYSA-N
MW344.23 g/mol
LogP5.10
Rot. Bonds2

About (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine

(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 115852564) has the molecular formula C18H15BrFN and a molecular weight of 344.23 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
PubChem CID115852564
Molecular FormulaC18H15BrFN
Molecular Weight344.23 g/mol
Exact Mass343.04
IUPAC Name(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H15BrFN/c1-11-8-16(20)6-7-17(11)18(21)14-3-2-13-10-15(19)5-4-12(13)9-14/h2-10,18H,21H2,1H3
InChIKeyRNBYONSOHIHURM-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

(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-fluoro-2-methylphenyl)-(2-methylquinolin-6-yl)methanamine
CID 81270225
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
CID 115851118
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
2-bromo-6-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 115354342
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(4-fluoro-2-methylphenyl)-(5-methyl-3-pyridinyl)methanamine
CID 113297299

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine (CID 115852564) is (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is RNBYONSOHIHURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN/c1-11-8-16(20)6-7-17(11)18(21)14-3-2-13-10-15(19)5-4-12(13)9-14/h2-10,18H,21H2,1H3.
What are the key properties of (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine?
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)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 (6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 115852564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).