1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine

C18H26ClNO2 — CID 118058024

IUPAC1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
SMILESClc1cc(CCCN2CCCC2)ccc1OC1CCOCC1
InChIInChI=1S/C18H26ClNO2/c19-17-14-15(4-3-11-20-9-1-2-10-20)5-6-18(17)22-16-7-12-21-13-8-16/h5-6,14,16H,1-4,7-13H2
InChIKeyQBQRWBMWDGLDPQ-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.93
Rot. Bonds6

About 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine

1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine (PubChem CID 118058024) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
PubChem CID118058024
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine
SMILESClc1cc(CCCN2CCCC2)ccc1OC1CCOCC1
InChIInChI=1S/C18H26ClNO2/c19-17-14-15(4-3-11-20-9-1-2-10-20)5-6-18(17)22-16-7-12-21-13-8-16/h5-6,14,16H,1-4,7-13H2
InChIKeyQBQRWBMWDGLDPQ-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-chloro-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005382
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(triazol-2-yl)phenyl]acetamide
CID 144811873
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-[1-(4-fluorophenyl)pyrazol-4-yl]-2-oxoacetamide
CID 144811733
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]azetidine;(2E)-4-(6-fluoronaphthalen-2-yl)-2-hydroxyiminobutanamide
CID 144811493
4-(2-chloro-4-methylphenoxy)oxane
CID 58103858
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2,2-difluoro-2-[2-(4-fluorophenoxy)-4-pyridinyl]acetamide
CID 144811839
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
CID 170863354
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;2-oxo-2-[4-(1-propan-2-ylindazol-6-yl)phenyl]acetamide
CID 144811505
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
1-[3-(3-chloro-4-cyclopropyloxyphenyl)propyl]pyrrolidine;ethane;2-oxo-2-[4-(2-propan-2-ylindazol-5-yl)phenyl]acetamide
CID 144811407
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine?
The IUPAC name of 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine (CID 118058024) is 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine.
What is the SMILES notation for 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine?
The canonical SMILES for 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine is Clc1cc(CCCN2CCCC2)ccc1OC1CCOCC1.
What is the InChIKey of 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine?
The InChIKey is QBQRWBMWDGLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c19-17-14-15(4-3-11-20-9-1-2-10-20)5-6-18(17)22-16-7-12-21-13-8-16/h5-6,14,16H,1-4,7-13H2.
What are the key properties of 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine?
1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine has a molecular weight of 323.86 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-chloro-4-(oxan-4-yloxy)phenyl]propyl]pyrrolidine is sourced from PubChem (CID 118058024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).