5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline

C16H24BrNO — CID 63455703

IUPAC5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H24BrNO/c1-3-4-12-5-8-14(9-6-12)18-15-11-13(17)7-10-16(15)19-2/h7,10-12,14,18H,3-6,8-9H2,1-2H3
InChIKeyXZWAESRHYNOIEH-UHFFFAOYSA-N
MW326.28 g/mol
LogP5.23
Rot. Bonds5

About 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline

5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline (PubChem CID 63455703) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
PubChem CID63455703
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline
SMILESCCCC1CCC(Nc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C16H24BrNO/c1-3-4-12-5-8-14(9-6-12)18-15-11-13(17)7-10-16(15)19-2/h7,10-12,14,18H,3-6,8-9H2,1-2H3
InChIKeyXZWAESRHYNOIEH-UHFFFAOYSA-N
XLogP5.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.28
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65083314
4-(5-bromo-2-methoxyanilino)cyclohexan-1-ol
CID 106594504
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
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N-(5-bromo-2-methoxyphenyl)-1-ethylazepan-4-amine
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4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
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N-(5-bromo-2-methoxyphenyl)-5-methylthiolan-3-amine
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4-bromo-2-(2-cyclopropylethoxymethyl)-1-methoxybenzene
CID 106203721
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline?
The IUPAC name of 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline (CID 63455703) is 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline.
What is the SMILES notation for 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline?
The canonical SMILES for 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline is CCCC1CCC(Nc2cc(Br)ccc2OC)CC1.
What is the InChIKey of 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline?
The InChIKey is XZWAESRHYNOIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-4-12-5-8-14(9-6-12)18-15-11-13(17)7-10-16(15)19-2/h7,10-12,14,18H,3-6,8-9H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline?
5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline has a molecular weight of 326.28 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(4-propylcyclohexyl)aniline is sourced from PubChem (CID 63455703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).