4-bromo-2-[1-(cyclopentylamino)ethyl]phenol

C13H18BrNO — CID 104581360

IUPAC4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
SMILESCC(NC1CCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO/c1-9(15-11-4-2-3-5-11)12-8-10(14)6-7-13(12)16/h6-9,11,15-16H,2-5H2,1H3
InChIKeyIDRDSYJHHYDPTQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.75
Rot. Bonds3

About 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol

4-bromo-2-[1-(cyclopentylamino)ethyl]phenol (PubChem CID 104581360) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
PubChem CID104581360
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
SMILESCC(NC1CCCC1)c1cc(Br)ccc1O
InChIInChI=1S/C13H18BrNO/c1-9(15-11-4-2-3-5-11)12-8-10(14)6-7-13(12)16/h6-9,11,15-16H,2-5H2,1H3
InChIKeyIDRDSYJHHYDPTQ-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
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2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
4-bromo-2-[1-[[(1S)-1-cyclopentylethyl]amino]propyl]phenol
CID 81386831
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
CID 82974436
N-[(1R)-1-(3-bromophenyl)ethyl]cyclooctanamine
CID 28555572
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 82961576
4-bromo-2-[1-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
4-bromo-2-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82959216
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
4-bromo-2-[(cyclohexylamino)-diphenylphosphorylmethyl]phenol
CID 2779463

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol (CID 104581360) is 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol is CC(NC1CCCC1)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol?
The InChIKey is IDRDSYJHHYDPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(15-11-4-2-3-5-11)12-8-10(14)6-7-13(12)16/h6-9,11,15-16H,2-5H2,1H3.
What are the key properties of 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol?
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol has a molecular weight of 284.20 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(cyclopentylamino)ethyl]phenol is sourced from PubChem (CID 104581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).