[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine

C15H22BrNO — CID 82832048

IUPAC[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-12-4-3-7-15(9-12,11-17)18-10-13-5-2-6-14(16)8-13/h2,5-6,8,12H,3-4,7,9-11,17H2,1H3
InChIKeyXQIRHIBTLPFTDO-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.87
Rot. Bonds4

About [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine

[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine (PubChem CID 82832048) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
PubChem CID82832048
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCc2cccc(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-12-4-3-7-15(9-12,11-17)18-10-13-5-2-6-14(16)8-13/h2,5-6,8,12H,3-4,7,9-11,17H2,1H3
InChIKeyXQIRHIBTLPFTDO-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine (CID 82832048) is [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(OCc2cccc(Br)c2)C1.
What is the InChIKey of [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine?
The InChIKey is XQIRHIBTLPFTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-12-4-3-7-15(9-12,11-17)18-10-13-5-2-6-14(16)8-13/h2,5-6,8,12H,3-4,7,9-11,17H2,1H3.
What are the key properties of [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine?
[1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methoxy]-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 82832048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).