(5-bromo-2-cyclopentyloxyphenyl)methanamine

C12H16BrNO — CID 43125696

IUPAC(5-bromo-2-cyclopentyloxyphenyl)methanamine
SMILESNCc1cc(Br)ccc1OC1CCCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-7,11H,1-4,8,14H2
InChIKeyWFOPOXIALWJGOW-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.23
Rot. Bonds3

About (5-bromo-2-cyclopentyloxyphenyl)methanamine

(5-bromo-2-cyclopentyloxyphenyl)methanamine (PubChem CID 43125696) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (5-bromo-2-cyclopentyloxyphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-cyclopentyloxyphenyl)methanamine
PubChem CID43125696
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(5-bromo-2-cyclopentyloxyphenyl)methanamine
SMILESNCc1cc(Br)ccc1OC1CCCC1
InChIInChI=1S/C12H16BrNO/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-7,11H,1-4,8,14H2
InChIKeyWFOPOXIALWJGOW-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
3-(5-bromo-2-cyclopropyloxyphenyl)propan-1-amine
CID 117428416
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methoxymethanamine
CID 117460990
[4-bromo-2-(4,4-dimethylcyclohexyl)oxyphenyl]methanamine
CID 114900857
N-[(5-bromo-2-cycloheptyloxyphenyl)methyl]-2-methylpropan-1-amine
CID 82927406
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
[1-(5-bromo-2-cyclobutyloxyphenyl)cyclobutyl]methanamine
CID 117495123
[5-bromo-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)phenyl]methanamine
CID 79899567
4-bromo-2-cyclohexyloxy-1-fluorobenzene
CID 114672606
[5-bromo-2-(oxan-3-yloxy)phenyl]methanol
CID 107135040

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-cyclopentyloxyphenyl)methanamine?
The IUPAC name of (5-bromo-2-cyclopentyloxyphenyl)methanamine (CID 43125696) is (5-bromo-2-cyclopentyloxyphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-cyclopentyloxyphenyl)methanamine?
The canonical SMILES for (5-bromo-2-cyclopentyloxyphenyl)methanamine is NCc1cc(Br)ccc1OC1CCCC1.
What is the InChIKey of (5-bromo-2-cyclopentyloxyphenyl)methanamine?
The InChIKey is WFOPOXIALWJGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-5-6-12(9(7-10)8-14)15-11-3-1-2-4-11/h5-7,11H,1-4,8,14H2.
What are the key properties of (5-bromo-2-cyclopentyloxyphenyl)methanamine?
(5-bromo-2-cyclopentyloxyphenyl)methanamine has a molecular weight of 270.17 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-cyclopentyloxyphenyl)methanamine is sourced from PubChem (CID 43125696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).