2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol

C12H16BrNO2 — CID 60877742

IUPAC2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
SMILESNCc1cc(Br)ccc1OC1CCCC1O
InChIInChI=1S/C12H16BrNO2/c13-9-4-5-11(8(6-9)7-14)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2
InChIKeyJAJGBAQPPYJBEZ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.20
Rot. Bonds3

About 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol

2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol (PubChem CID 60877742) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
PubChem CID60877742
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
SMILESNCc1cc(Br)ccc1OC1CCCC1O
InChIInChI=1S/C12H16BrNO2/c13-9-4-5-11(8(6-9)7-14)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2
InChIKeyJAJGBAQPPYJBEZ-UHFFFAOYSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
2-[4-bromo-2-(propylaminomethyl)phenoxy]cyclopentan-1-ol
CID 60881988
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
[5-bromo-2-(cyclopentylmethoxy)phenyl]methanamine
CID 61344976
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
trans-(1S,2S)-2-(2-bromo-4-chlorophenoxy)cyclopentan-1-ol
CID 102735425
2-(2-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 60712151
trans-(1R,2R)-2-(3-bromophenoxy)cyclopentan-1-ol
CID 102735405
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol (CID 60877742) is 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol is NCc1cc(Br)ccc1OC1CCCC1O.
What is the InChIKey of 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol?
The InChIKey is JAJGBAQPPYJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-9-4-5-11(8(6-9)7-14)16-12-3-1-2-10(12)15/h4-6,10,12,15H,1-3,7,14H2.
What are the key properties of 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol?
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol has a molecular weight of 286.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol is sourced from PubChem (CID 60877742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).