2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol

C12H14BrNO — CID 115696332

IUPAC2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1c(Br)cccc1CNC1CC=CC1
InChIInChI=1S/C12H14BrNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2
InChIKeyNVXYABQAGYHKHA-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds3

About 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol

2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol (PubChem CID 115696332) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
PubChem CID115696332
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
SMILESOc1c(Br)cccc1CNC1CC=CC1
InChIInChI=1S/C12H14BrNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2
InChIKeyNVXYABQAGYHKHA-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
4-[(3-bromo-2-hydroxyphenyl)methylamino]oxolan-3-ol
CID 115919658
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
CID 112554896
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]-6-bromophenol
CID 78916565
N-[(3-chloro-2-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115696357
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
2-bromo-6-[(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)methyl]phenol
CID 61390451
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-6-bromophenol
CID 61390738
2-bromo-6-[(1-cyclopropylethylamino)methyl]phenol
CID 61390496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The IUPAC name of 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol (CID 115696332) is 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol is Oc1c(Br)cccc1CNC1CC=CC1.
What is the InChIKey of 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
The InChIKey is NVXYABQAGYHKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-7-3-4-9(12(11)15)8-14-10-5-1-2-6-10/h1-4,7,10,14-15H,5-6,8H2.
What are the key properties of 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol?
2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol has a molecular weight of 268.15 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol is sourced from PubChem (CID 115696332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).