1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine

C14H20ClNO — CID 138636815

IUPAC1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
SMILESCC1CCN(CCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-12-7-9-16(11-12)8-2-10-17-14-5-3-13(15)4-6-14/h3-6,12H,2,7-11H2,1H3
InChIKeyRDYQVYMUXBTPAF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.45
Rot. Bonds5

About 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine

1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine (PubChem CID 138636815) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
PubChem CID138636815
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
SMILESCC1CCN(CCCOc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c1-12-7-9-16(11-12)8-2-10-17-14-5-3-13(15)4-6-14/h3-6,12H,2,7-11H2,1H3
InChIKeyRDYQVYMUXBTPAF-UHFFFAOYSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
2-[1-[3-(4-chlorophenoxy)propyl]pyrrolidin-3-yl]ethanol
CID 115648137
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
1-[3-[3-(4-chlorophenyl)propoxy]propyl]-4-methylpiperidine
CID 11947991
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpiperazine
CID 96925924
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-1-oxidopyridin-1-ium;molecular chlorine
CID 159763273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine (CID 138636815) is 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine is CC1CCN(CCCOc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine?
The InChIKey is RDYQVYMUXBTPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-7-9-16(11-12)8-2-10-17-14-5-3-13(15)4-6-14/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine?
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine is sourced from PubChem (CID 138636815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).