4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine

C15H21ClN2O — CID 117450927

IUPAC4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine
SMILESClc1cc(C2CCNC2)ccc1CN1CCOCC1
InChIInChI=1S/C15H21ClN2O/c16-15-9-12(13-3-4-17-10-13)1-2-14(15)11-18-5-7-19-8-6-18/h1-2,9,13,17H,3-8,10-11H2
InChIKeyVQTULFOCLSVRTQ-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.25
Rot. Bonds3

About 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine

4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine (PubChem CID 117450927) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine
PubChem CID117450927
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine
SMILESClc1cc(C2CCNC2)ccc1CN1CCOCC1
InChIInChI=1S/C15H21ClN2O/c16-15-9-12(13-3-4-17-10-13)1-2-14(15)11-18-5-7-19-8-6-18/h1-2,9,13,17H,3-8,10-11H2
InChIKeyVQTULFOCLSVRTQ-UHFFFAOYSA-N
XLogP2.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluoro-4-piperidin-3-ylphenyl)methyl]morpholine
CID 117446553
3-[3-chloro-4-(oxan-4-yl)phenyl]pyrrolidine
CID 117418775
1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
CID 117472785
4-(2-bromo-4-pyrrolidin-3-ylphenyl)morpholine
CID 117496111
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041
(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-[3-chloro-4-(oxetan-3-ylsulfonyl)phenyl]pyrrolidine
CID 117485911
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine?
The IUPAC name of 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine (CID 117450927) is 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine?
The canonical SMILES for 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine is Clc1cc(C2CCNC2)ccc1CN1CCOCC1.
What is the InChIKey of 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine?
The InChIKey is VQTULFOCLSVRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-15-9-12(13-3-4-17-10-13)1-2-14(15)11-18-5-7-19-8-6-18/h1-2,9,13,17H,3-8,10-11H2.
What are the key properties of 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine?
4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine has a molecular weight of 280.80 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-pyrrolidin-3-ylphenyl)methyl]morpholine is sourced from PubChem (CID 117450927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).