2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol

C15H22BrNO — CID 82983375

IUPAC2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1(CC)CCN(Cc2ccc(O)c(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-3-15(4-2)7-8-17(11-15)10-12-5-6-14(18)13(16)9-12/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyLAJSITAPMBULGU-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.17
Rot. Bonds4

About 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol

2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol (PubChem CID 82983375) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
PubChem CID82983375
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
SMILESCCC1(CC)CCN(Cc2ccc(O)c(Br)c2)C1
InChIInChI=1S/C15H22BrNO/c1-3-15(4-2)7-8-17(11-15)10-12-5-6-14(18)13(16)9-12/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3
InChIKeyLAJSITAPMBULGU-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-[(3,3-diethylpyrrolidin-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-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 82975258
2-bromo-4-[(4-ethylpiperazin-1-yl)methyl]phenol
CID 115280835
1-[3-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 102771573
2-bromo-4-[(4-ethylpiperidin-1-yl)methyl]phenol
CID 82985669
2-bromo-4-[(4-tert-butylpiperazin-1-yl)methyl]phenol
CID 115282413
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
2-chloro-6-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol
CID 112616380
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82980620
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
1-[(3-bromo-4-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137125

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol (CID 82983375) is 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol is CCC1(CC)CCN(Cc2ccc(O)c(Br)c2)C1.
What is the InChIKey of 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
The InChIKey is LAJSITAPMBULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-15(4-2)7-8-17(11-15)10-12-5-6-14(18)13(16)9-12/h5-6,9,18H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol?
2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol has a molecular weight of 312.25 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3,3-diethylpyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 82983375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).