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

C13H19ClN2O — CID 63299775

IUPAC2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C13H19ClN2O/c1-2-16(11-5-6-15-8-11)9-10-3-4-13(17)12(14)7-10/h3-4,7,11,15,17H,2,5-6,8-9H2,1H3
InChIKeyIGRIFMGRMCWACS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.23
Rot. Bonds4

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

2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol (PubChem CID 63299775) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
PubChem CID63299775
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
SMILESCCN(Cc1ccc(O)c(Cl)c1)C1CCNC1
InChIInChI=1S/C13H19ClN2O/c1-2-16(11-5-6-15-8-11)9-10-3-4-13(17)12(14)7-10/h3-4,7,11,15,17H,2,5-6,8-9H2,1H3
InChIKeyIGRIFMGRMCWACS-UHFFFAOYSA-N
XLogP2.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The IUPAC name of 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol (CID 63299775) is 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol is CCN(Cc1ccc(O)c(Cl)c1)C1CCNC1.
What is the InChIKey of 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
The InChIKey is IGRIFMGRMCWACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-2-16(11-5-6-15-8-11)9-10-3-4-13(17)12(14)7-10/h3-4,7,11,15,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol?
2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol has a molecular weight of 254.76 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol is sourced from PubChem (CID 63299775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).