4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol

C19H21ClN2O — CID 135829042

IUPAC4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c20-18-7-8-19(23)17(11-18)13-21-12-15-3-5-16(6-4-15)14-22-9-1-2-10-22/h3-8,11,13,23H,1-2,9-10,12,14H2/b21-13+
InChIKeyKTYJVIAKTMXTGQ-FYJGNVAPSA-N
MW328.84 g/mol
LogP4.26
Rot. Bonds5

About 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol

4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol (PubChem CID 135829042) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
PubChem CID135829042
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/Cc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c20-18-7-8-19(23)17(11-18)13-21-12-15-3-5-16(6-4-15)14-22-9-1-2-10-22/h3-8,11,13,23H,1-2,9-10,12,14H2/b21-13+
InChIKeyKTYJVIAKTMXTGQ-FYJGNVAPSA-N
XLogP4.26
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]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-nitro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829043
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
CID 135595403
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
4-chloro-2-[4-[(5-chloro-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 136909314
2-[[(3R)-1-benzylpyrrolidin-3-yl]iminomethyl]-4-chlorophenol
CID 135598272
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
CID 15576412
4-chloro-2-(furan-2-ylmethyliminomethyl)phenol
CID 135659260
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
2-[(3-chlorophenyl)methyliminomethyl]phenol
CID 135629536
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1273523
2-chloro-5-(piperidin-1-ylmethyl)phenol
CID 117221593

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol (CID 135829042) is 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/Cc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol?
The InChIKey is KTYJVIAKTMXTGQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-7-8-19(23)17(11-18)13-21-12-15-3-5-16(6-4-15)14-22-9-1-2-10-22/h3-8,11,13,23H,1-2,9-10,12,14H2/b21-13+.
What are the key properties of 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol?
4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol has a molecular weight of 328.84 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol is sourced from PubChem (CID 135829042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).