1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine

C19H18BrN — CID 115795109

IUPAC1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1ccccc1C
InChIInChI=1S/C19H18BrN/c1-13-5-3-4-6-18(13)19(21-2)16-8-7-15-12-17(20)10-9-14(15)11-16/h3-12,19,21H,1-2H3
InChIKeyHEYKSIPHVNHCSW-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.22
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine

1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 115795109) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID115795109
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc2cc(Br)ccc2c1)c1ccccc1C
InChIInChI=1S/C19H18BrN/c1-13-5-3-4-6-18(13)19(21-2)16-8-7-15-12-17(20)10-9-14(15)11-16/h3-12,19,21H,1-2H3
InChIKeyHEYKSIPHVNHCSW-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(5-bromo-2-methylthiophen-3-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353809
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
1-(5-bromofuran-2-yl)-1-(6-bromonaphthalen-2-yl)-N-methylmethanamine
CID 115353815
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine (CID 115795109) is 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccc2cc(Br)ccc2c1)c1ccccc1C.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is HEYKSIPHVNHCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-13-5-3-4-6-18(13)19(21-2)16-8-7-15-12-17(20)10-9-14(15)11-16/h3-12,19,21H,1-2H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 340.26 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 115795109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).