4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine

C14H15ClN2O — CID 91674817

IUPAC4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine
SMILESClc1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C14H15ClN2O/c15-13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-18-10-8-17/h1-6,11H,7-10H2
InChIKeyYZVRSJMDVBQKKW-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.97
Rot. Bonds2

About 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine

4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine (PubChem CID 91674817) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine
PubChem CID91674817
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine
SMILESClc1cc(-n2cccc2)ccc1N1CCOCC1
InChIInChI=1S/C14H15ClN2O/c15-13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-18-10-8-17/h1-6,11H,7-10H2
InChIKeyYZVRSJMDVBQKKW-UHFFFAOYSA-N
XLogP2.97
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine 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

1-[(2-chlorophenyl)methyl]-4-(2-chloro-4-pyrrol-1-ylphenyl)piperazine
CID 91674801
[4-(2-chloro-4-pyrrol-1-ylphenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91674750
CID 88962202
CID 88962202
[(3-chloro-4-morpholin-4-ylphenyl)-cyanoazaniumylidene]azanide
CID 88847403
1-(3-bromo-4-pyrrolidin-1-ylphenyl)pyrrole
CID 91677050
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
1-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropan-1-ol
CID 117423222
2-chloro-5-morpholin-4-ylphenol
CID 84679971
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 81152518

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine?
The IUPAC name of 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine (CID 91674817) is 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine?
The canonical SMILES for 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine is Clc1cc(-n2cccc2)ccc1N1CCOCC1.
What is the InChIKey of 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine?
The InChIKey is YZVRSJMDVBQKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-18-10-8-17/h1-6,11H,7-10H2.
What are the key properties of 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine?
4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine has a molecular weight of 262.74 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyrrol-1-ylphenyl)morpholine is sourced from PubChem (CID 91674817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).