1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine

C19H24BrN — CID 115842237

IUPAC1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H24BrN/c1-21-19(11-14-5-3-2-4-6-14)17-8-7-16-13-18(20)10-9-15(16)12-17/h7-10,12-14,19,21H,2-6,11H2,1H3
InChIKeyAHRDOBQIMAEWOO-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.83
Rot. Bonds4

About 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine

1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine (PubChem CID 115842237) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
PubChem CID115842237
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H24BrN/c1-21-19(11-14-5-3-2-4-6-14)17-8-7-16-13-18(20)10-9-15(16)12-17/h7-10,12-14,19,21H,2-6,11H2,1H3
InChIKeyAHRDOBQIMAEWOO-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyclopentyl-N-methylethanamine
CID 115847452
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
2-cyclopentyl-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 62601380
2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
2-cycloheptyl-N-methyl-1-(3-methylphenyl)ethanamine
CID 115789919
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-(4-bromo-2-methoxyphenyl)-2-cyclopentyl-N-methylethanamine
CID 115847250
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
2-cycloheptyl-1-(3-ethylphenyl)-N-methylethanamine
CID 105018546
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine (CID 115842237) is 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine is CNC(CC1CCCCC1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine?
The InChIKey is AHRDOBQIMAEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-21-19(11-14-5-3-2-4-6-14)17-8-7-16-13-18(20)10-9-15(16)12-17/h7-10,12-14,19,21H,2-6,11H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine?
1-(6-bromonaphthalen-2-yl)-2-cyclohexyl-N-methylethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.83, 4 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)-2-cyclohexyl-N-methylethanamine is sourced from PubChem (CID 115842237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).