2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol

C11H11ClN2O — CID 112607031

IUPAC2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNn1cccc1
InChIInChI=1S/C11H11ClN2O/c12-10-5-3-4-9(11(10)15)8-13-14-6-1-2-7-14/h1-7,13,15H,8H2
InChIKeyOZVNIHADEMDTCL-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol

2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol (PubChem CID 112607031) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
PubChem CID112607031
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol
SMILESOc1c(Cl)cccc1CNn1cccc1
InChIInChI=1S/C11H11ClN2O/c12-10-5-3-4-9(11(10)15)8-13-14-6-1-2-7-14/h1-7,13,15H,8H2
InChIKeyOZVNIHADEMDTCL-UHFFFAOYSA-N
XLogP2.59
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]pyrrol-1-amine
CID 79090892
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-6-[(2,6-dichloro-4-fluoroanilino)methyl]phenol
CID 112607220
2-[(4-bromo-2,6-dichloroanilino)methyl]-6-chlorophenol
CID 112606366
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
2-chloro-6-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 112606398
2-chloro-6-[(2-hydroxyphenyl)methyl]phenol
CID 22151945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol?
The IUPAC name of 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol (CID 112607031) is 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol is Oc1c(Cl)cccc1CNn1cccc1.
What is the InChIKey of 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol?
The InChIKey is OZVNIHADEMDTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-5-3-4-9(11(10)15)8-13-14-6-1-2-7-14/h1-7,13,15H,8H2.
What are the key properties of 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol?
2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol has a molecular weight of 222.68 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(pyrrol-1-ylamino)methyl]phenol is sourced from PubChem (CID 112607031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).