2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

C12H17ClN2O — CID 63298237

IUPAC2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H17ClN2O/c1-15(10-4-5-14-7-10)8-9-2-3-12(16)11(13)6-9/h2-3,6,10,14,16H,4-5,7-8H2,1H3
InChIKeyRKLNHPHLZAHOGC-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.84
Rot. Bonds3

About 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol

2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 63298237) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID63298237
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCN(Cc1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C12H17ClN2O/c1-15(10-4-5-14-7-10)8-9-2-3-12(16)11(13)6-9/h2-3,6,10,14,16H,4-5,7-8H2,1H3
InChIKeyRKLNHPHLZAHOGC-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 63298237) is 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is CN(Cc1ccc(O)c(Cl)c1)C1CCNC1.
What is the InChIKey of 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is RKLNHPHLZAHOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(10-4-5-14-7-10)8-9-2-3-12(16)11(13)6-9/h2-3,6,10,14,16H,4-5,7-8H2,1H3.
What are the key properties of 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol?
2-chloro-4-[[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 2-chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63298237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).