2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

C18H28BrNO — CID 64765911

IUPAC2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C18H28BrNO/c1-12-5-7-15(16(20)9-12)18(2,3)11-13-10-14(19)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11,20H2,1-4H3
InChIKeyPIUUIKIUGUMXRW-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.79
Rot. Bonds4

About 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine

2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765911) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765911
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CC(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C18H28BrNO/c1-12-5-7-15(16(20)9-12)18(2,3)11-13-10-14(19)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11,20H2,1-4H3
InChIKeyPIUUIKIUGUMXRW-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765730
2-[2-(2-bromo-4-methylcyclohexyl)-2-methylpropyl]-4-chloro-1-methoxybenzene
CID 64767519
2-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765538
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
4-bromo-2-(2-chloro-2-methylpropyl)-1-methoxybenzene
CID 4605776
3-(5-bromo-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151485
4-bromo-2-(3-chloro-2-cyclopropyl-2-methylpropyl)-1-methoxybenzene
CID 83151167
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65413976
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61234951
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 62725313

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine (CID 64765911) is 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is COc1ccc(Br)cc1CC(C)(C)C1CCC(C)CC1N.
What is the InChIKey of 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is PIUUIKIUGUMXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-12-5-7-15(16(20)9-12)18(2,3)11-13-10-14(19)6-8-17(13)21-4/h6,8,10,12,15-16H,5,7,9,11,20H2,1-4H3.
What are the key properties of 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine?
2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-methoxyphenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).