[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine

C15H22BrNO — CID 112619867

IUPAC[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OC1CCCC(C)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-3-5-14(6-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14H,3-6,9,17H2,1-2H3
InChIKeyBEWCRUAUICPJCT-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.17
Rot. Bonds3

About [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine

[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine (PubChem CID 112619867) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
PubChem CID112619867
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine
SMILESCc1cc(Br)cc(CN)c1OC1CCCC(C)C1
InChIInChI=1S/C15H22BrNO/c1-10-4-3-5-14(6-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14H,3-6,9,17H2,1-2H3
InChIKeyBEWCRUAUICPJCT-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
5-bromo-1-(chloromethyl)-3-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 112621258
N-[(5-bromo-2-cyclohexyloxy-3-methylphenyl)methyl]propan-2-amine
CID 115961427
3-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-1-methylpyrrolidin-2-one
CID 112619765
5-bromo-2-(3-methoxycyclohexyl)oxy-3-methylaniline
CID 79844756
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
CID 114620717
[1-(3-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777338
5-bromo-1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-3-methylbenzene
CID 112621406
2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]-N-cyclopentylacetamide
CID 115960915
(5-bromo-2-hexoxy-3-methylphenyl)methanamine
CID 112619692
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine (CID 112619867) is [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine is Cc1cc(Br)cc(CN)c1OC1CCCC(C)C1.
What is the InChIKey of [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is BEWCRUAUICPJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-4-3-5-14(6-10)18-15-11(2)7-13(16)8-12(15)9-17/h7-8,10,14H,3-6,9,17H2,1-2H3.
What are the key properties of [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine?
[5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-(3-methylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 112619867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).