2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C18H28BrNO — CID 65423793

IUPAC2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28BrNO/c1-12(2)13-4-6-14(7-5-13)17(20)11-15-10-16(19)8-9-18(15)21-3/h8-10,12-14,17H,4-7,11,20H2,1-3H3
InChIKeyFALVQJPAVTXNMX-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.79
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 65423793) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID65423793
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCOc1ccc(Br)cc1CC(N)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H28BrNO/c1-12(2)13-4-6-14(7-5-13)17(20)11-15-10-16(19)8-9-18(15)21-3/h8-10,12-14,17H,4-7,11,20H2,1-3H3
InChIKeyFALVQJPAVTXNMX-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817280
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370
1-(6-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115816983
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethanamine
CID 107188007
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
2-(5-bromo-2-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65401347
2-(5-chloro-2-methoxyphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65423175

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 65423793) is 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is COc1ccc(Br)cc1CC(N)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is FALVQJPAVTXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-12(2)13-4-6-14(7-5-13)17(20)11-15-10-16(19)8-9-18(15)21-3/h8-10,12-14,17H,4-7,11,20H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 354.33 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 65423793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).