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

C13H18BrNO — CID 61344976

IUPAC[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCC1CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-6-13(11(7-12)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2
InChIKeyUYEBSWWBXMAWNP-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.48
Rot. Bonds4

About [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine

[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine (PubChem CID 61344976) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
PubChem CID61344976
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCC1CCCC1
InChIInChI=1S/C13H18BrNO/c14-12-5-6-13(11(7-12)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2
InChIKeyUYEBSWWBXMAWNP-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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Related Compounds

4-bromo-2-(chloromethyl)-1-(cyclohexylmethoxy)benzene
CID 28981481
2-[5-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 60906211
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
N-[[5-bromo-2-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461140
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
[2-bromo-4-(cyclohexylmethoxy)-3-fluorophenyl]methanamine
CID 107532694
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
3-[5-bromo-2-(cyclopropylmethoxy)phenyl]propanal
CID 117454997
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
[5-bromo-2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]methanamine
CID 79223776
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine (CID 61344976) is [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine is NCc1cc(Br)ccc1OCC1CCCC1.
What is the InChIKey of [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine?
The InChIKey is UYEBSWWBXMAWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-5-6-13(11(7-12)8-15)16-9-10-3-1-2-4-10/h5-7,10H,1-4,8-9,15H2.
What are the key properties of [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine?
[5-bromo-2-(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 [5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine is sourced from PubChem (CID 61344976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).