[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine

C15H22BrNO — CID 82832273

IUPAC[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
SMILESNCC1(OCc2ccc(Br)cc2)CCCCCC1
InChIInChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)11-18-15(12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12,17H2
InChIKeyFWDQTKBMVFKYLK-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.02
Rot. Bonds4

About [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine

[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine (PubChem CID 82832273) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
PubChem CID82832273
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
SMILESNCC1(OCc2ccc(Br)cc2)CCCCCC1
InChIInChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)11-18-15(12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12,17H2
InChIKeyFWDQTKBMVFKYLK-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine?
The IUPAC name of [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine (CID 82832273) is [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine.
What is the SMILES notation for [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine?
The canonical SMILES for [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine is NCC1(OCc2ccc(Br)cc2)CCCCCC1.
What is the InChIKey of [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine?
The InChIKey is FWDQTKBMVFKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c16-14-7-5-13(6-8-14)11-18-15(12-17)9-3-1-2-4-10-15/h5-8H,1-4,9-12,17H2.
What are the key properties of [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine?
[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine has a molecular weight of 312.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine is sourced from PubChem (CID 82832273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).