3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

C12H17ClN2O — CID 114321079

IUPAC3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCNC1
InChIInChI=1S/C12H17ClN2O/c1-15(9-5-6-14-7-9)8-10-11(13)3-2-4-12(10)16/h2-4,9,14,16H,5-8H2,1H3
InChIKeyYCWWYTYBFFTVFO-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.84
Rot. Bonds3

About 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 114321079) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID114321079
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCNC1
InChIInChI=1S/C12H17ClN2O/c1-15(9-5-6-14-7-9)8-10-11(13)3-2-4-12(10)16/h2-4,9,14,16H,5-8H2,1H3
InChIKeyYCWWYTYBFFTVFO-UHFFFAOYSA-N
XLogP1.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.84
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

1-[[methyl(pyrrolidin-3-yl)amino]methyl]naphthalen-2-ol
CID 63296957
3-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977771
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
3-chloro-2-[[methyl(morpholin-2-ylmethyl)amino]methyl]phenol
CID 113277030
N-benzyl-N-methylpyrrolidin-3-amine
CID 14834678
N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115118911
N-[(3-chlorothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120839502
N-[(4-chlorothiophen-3-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 131047945
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 114321079) is 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is CN(Cc1c(O)cccc1Cl)C1CCNC1.
What is the InChIKey of 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is YCWWYTYBFFTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(9-5-6-14-7-9)8-10-11(13)3-2-4-12(10)16/h2-4,9,14,16H,5-8H2,1H3.
What are the key properties of 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 240.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 114321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).