4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol

C16H26N2O — CID 82979936

IUPAC4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
SMILESCCN(CC)C1CCN(C(C)c2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-4-17(5-2)15-10-11-18(12-15)13(3)14-6-8-16(19)9-7-14/h6-9,13,15,19H,4-5,10-12H2,1-3H3
InChIKeyUQKWRXJBBAQYST-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds5

About 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol

4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol (PubChem CID 82979936) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
PubChem CID82979936
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
SMILESCCN(CC)C1CCN(C(C)c2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-4-17(5-2)15-10-11-18(12-15)13(3)14-6-8-16(19)9-7-14/h6-9,13,15,19H,4-5,10-12H2,1-3H3
InChIKeyUQKWRXJBBAQYST-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]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

2-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]-4-fluorophenol
CID 82979937
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
1-(4-chlorophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164795
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
N-(2-cyanoethyl)-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98755711
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
4-[1-(2-methylmorpholin-4-yl)ethyl]phenol
CID 82977780
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(1-phenylethyl)pyrrolidin-3-amine;hydrochloride
CID 120899143
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
CID 56526257
N-ethyl-2-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98753200

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol?
The IUPAC name of 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol (CID 82979936) is 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol.
What is the SMILES notation for 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol?
The canonical SMILES for 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol is CCN(CC)C1CCN(C(C)c2ccc(O)cc2)C1.
What is the InChIKey of 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol?
The InChIKey is UQKWRXJBBAQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17(5-2)15-10-11-18(12-15)13(3)14-6-8-16(19)9-7-14/h6-9,13,15,19H,4-5,10-12H2,1-3H3.
What are the key properties of 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol?
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol is sourced from PubChem (CID 82979936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).