2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol

C15H21ClN2O2 — CID 82979175

IUPAC2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c16-14-9-12(1-2-15(14)19)10-17-4-3-13(11-17)18-5-7-20-8-6-18/h1-2,9,13,19H,3-8,10-11H2
InChIKeyRCPGTIUJKWPRQQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.95
Rot. Bonds3

About 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol

2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82979175) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
PubChem CID82979175
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c16-14-9-12(1-2-15(14)19)10-17-4-3-13(11-17)18-5-7-20-8-6-18/h1-2,9,13,19H,3-8,10-11H2
InChIKeyRCPGTIUJKWPRQQ-UHFFFAOYSA-N
XLogP1.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63169493
2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 107740337
2-chloro-4-[(3-phenylpyrrolidin-1-yl)methyl]phenol
CID 82986596
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
3-[1-[(3-chloro-4-hydroxyphenyl)methyl]pyrrolidin-3-yl]-5,5-diphenyl-1,3-oxazolidin-2-one
CID 44529572
4-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-yl]morpholine
CID 63169707
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 74239756
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63882045

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol (CID 82979175) is 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol is Oc1ccc(CN2CCC(N3CCOCC3)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is RCPGTIUJKWPRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-14-9-12(1-2-15(14)19)10-17-4-3-13(11-17)18-5-7-20-8-6-18/h1-2,9,13,19H,3-8,10-11H2.
What are the key properties of 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol?
2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 296.80 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82979175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).