[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine

C13H18BrNO — CID 107275264

IUPAC[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c14-13-7-12(6-5-11(13)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2
InChIKeyABHFSPDGBAFZDN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.48
Rot. Bonds4

About [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine

[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine (PubChem CID 107275264) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
PubChem CID107275264
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCC2CCCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c14-13-7-12(6-5-11(13)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2
InChIKeyABHFSPDGBAFZDN-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine?
The IUPAC name of [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine (CID 107275264) is [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine.
What is the SMILES notation for [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine?
The canonical SMILES for [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine is NCc1ccc(OCC2CCCC2)cc1Br.
What is the InChIKey of [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine?
The InChIKey is ABHFSPDGBAFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-13-7-12(6-5-11(13)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2.
What are the key properties of [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine?
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107275264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).