[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine

C13H18BrNO — CID 82134815

IUPAC[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
SMILESNCC1(COc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-11-5-1-2-6-12(11)16-10-13(9-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2
InChIKeyYPYYYPKFVWAYTC-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.35
Rot. Bonds4

About [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine

[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine (PubChem CID 82134815) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
PubChem CID82134815
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
SMILESNCC1(COc2ccccc2Br)CCCC1
InChIInChI=1S/C13H18BrNO/c14-11-5-1-2-6-12(11)16-10-13(9-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2
InChIKeyYPYYYPKFVWAYTC-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine (CID 82134815) is [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine is NCC1(COc2ccccc2Br)CCCC1.
What is the InChIKey of [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine?
The InChIKey is YPYYYPKFVWAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-11-5-1-2-6-12(11)16-10-13(9-15)7-3-4-8-13/h1-2,5-6H,3-4,7-10,15H2.
What are the key properties of [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine?
[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 82134815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).