2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol

C12H16ClNO — CID 112553673

IUPAC2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
SMILESCC1CCCN1Cc1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)8-10-5-2-6-11(13)12(10)15/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyLUPBBVDMSOLEJY-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol

2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol (PubChem CID 112553673) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
PubChem CID112553673
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol
SMILESCC1CCCN1Cc1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)8-10-5-2-6-11(13)12(10)15/h2,5-6,9,15H,3-4,7-8H2,1H3
InChIKeyLUPBBVDMSOLEJY-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.03
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

1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
2-chloro-6-[(3-methylpiperidin-1-yl)methyl]phenol
CID 112553322
4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
CID 156723320
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 115907050
3-chloro-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 166594028
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
2-chloro-6-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 112554706
[3-chloro-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 102662791
2-chloro-6-[(4-ethoxypiperidin-1-yl)methyl]phenol
CID 112553476
2-chloro-6-[(3-methoxypyrrolidin-1-yl)methyl]phenol
CID 103542192
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol (CID 112553673) is 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol is CC1CCCN1Cc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is LUPBBVDMSOLEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-4-3-7-14(9)8-10-5-2-6-11(13)12(10)15/h2,5-6,9,15H,3-4,7-8H2,1H3.
What are the key properties of 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol?
2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 225.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 112553673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).