2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol

C13H18BrNO2 — CID 63367803

IUPAC2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
SMILESC[C@H](N)c1cc(Br)ccc1OC1CCCC1O
InChIInChI=1S/C13H18BrNO2/c1-8(15)10-7-9(14)5-6-12(10)17-13-4-2-3-11(13)16/h5-8,11,13,16H,2-4,15H2,1H3/t8-,11?,13?/m0/s1
InChIKeyNPMBUIGCHJTODO-KTBWXWJFSA-N
MW300.20 g/mol
LogP2.76
Rot. Bonds3

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

2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol (PubChem CID 63367803) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
PubChem CID63367803
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
SMILESC[C@H](N)c1cc(Br)ccc1OC1CCCC1O
InChIInChI=1S/C13H18BrNO2/c1-8(15)10-7-9(14)5-6-12(10)17-13-4-2-3-11(13)16/h5-8,11,13,16H,2-4,15H2,1H3/t8-,11?,13?/m0/s1
InChIKeyNPMBUIGCHJTODO-KTBWXWJFSA-N
XLogP2.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]cyclohexan-1-ol
CID 62368559
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
trans-(1S,2S)-2-(2,4-dibromophenoxy)cyclopentan-1-ol
CID 102735528
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
2-[2-(aminomethyl)-4-bromophenoxy]cyclopentan-1-ol
CID 60877742
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
5-bromo-2-(2-hydroxycycloheptyl)oxybenzonitrile
CID 83145004
1-(4-bromo-2-cyclopentyloxyphenyl)ethanamine
CID 82975923
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol (CID 63367803) is 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol is C[C@H](N)c1cc(Br)ccc1OC1CCCC1O.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol?
The InChIKey is NPMBUIGCHJTODO-KTBWXWJFSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-8(15)10-7-9(14)5-6-12(10)17-13-4-2-3-11(13)16/h5-8,11,13,16H,2-4,15H2,1H3/t8-,11?,13?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol?
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol has a molecular weight of 300.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol is sourced from PubChem (CID 63367803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).