(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine

C18H16BrN — CID 115851118

IUPAC(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H16BrN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11,18H,20H2,1H3
InChIKeyXLFIIBBYJVMPEQ-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.96
Rot. Bonds2

About (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine

(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine (PubChem CID 115851118) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
PubChem CID115851118
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc2ccccc2c1
InChIInChI=1S/C18H16BrN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11,18H,20H2,1H3
InChIKeyXLFIIBBYJVMPEQ-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromonaphthalen-2-yl)-(2,5-dibromophenyl)methanamine
CID 115353747
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(2-fluoro-3-methylphenyl)-naphthalen-2-ylmethanamine
CID 115850991
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
3-[amino-(5-bromo-2-methylphenyl)methyl]-N-methylaniline
CID 116936708
(6-bromonaphthalen-2-yl)-(4-methylphenyl)methanamine
CID 115353742
(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65308282
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 65308179
(2-methoxyphenyl)-naphthalen-2-ylmethanamine
CID 62715547
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(3,4-dimethylphenyl)-naphthalen-1-ylmethanamine
CID 43149180

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine (CID 115851118) is (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine is Cc1ccc(Br)cc1C(N)c1ccc2ccccc2c1.
What is the InChIKey of (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine?
The InChIKey is XLFIIBBYJVMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c1-12-6-9-16(19)11-17(12)18(20)15-8-7-13-4-2-3-5-14(13)10-15/h2-11,18H,20H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine?
(5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine has a molecular weight of 326.24 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-naphthalen-2-ylmethanamine is sourced from PubChem (CID 115851118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).