4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol

C14H20BrNO — CID 82974436

IUPAC4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
SMILESCC(c1cc(Br)ccc1O)N(C)C1CCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16(2)12-5-3-4-6-12)13-9-11(15)7-8-14(13)17/h7-10,12,17H,3-6H2,1-2H3
InChIKeyKJIOBJXSFNADRO-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol

4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol (PubChem CID 82974436) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
PubChem CID82974436
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol
SMILESCC(c1cc(Br)ccc1O)N(C)C1CCCC1
InChIInChI=1S/C14H20BrNO/c1-10(16(2)12-5-3-4-6-12)13-9-11(15)7-8-14(13)17/h7-10,12,17H,3-6H2,1-2H3
InChIKeyKJIOBJXSFNADRO-UHFFFAOYSA-N
XLogP4.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
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-[cyclohexyl(methyl)amino]ethyl]phenol
CID 82974466
4-bromo-2-[1-(cyclopentylamino)ethyl]phenol
CID 104581360
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140
4-fluoro-2-[1-[methyl-(3-methylcyclohexyl)amino]ethyl]phenol
CID 82982074
4-chloro-2-[1-[methyl(oxan-4-yl)amino]ethyl]phenol
CID 82977582
4-bromo-2-[cyclohexyl(hydroxy)methyl]phenol
CID 54143973
4-bromo-2-[1-(N-methylanilino)ethyl]phenol
CID 82974570
2-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]-4-fluorophenol
CID 82986196
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
4-bromo-2-[1-[[(1S)-1-cyclopentylethyl]amino]propyl]phenol
CID 81386831
4-bromo-2-[1-(cyclobutylmethylamino)ethyl]phenol
CID 104581979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol (CID 82974436) is 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol is CC(c1cc(Br)ccc1O)N(C)C1CCCC1.
What is the InChIKey of 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol?
The InChIKey is KJIOBJXSFNADRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(16(2)12-5-3-4-6-12)13-9-11(15)7-8-14(13)17/h7-10,12,17H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol?
4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-[cyclopentyl(methyl)amino]ethyl]phenol is sourced from PubChem (CID 82974436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).