3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine

C14H19NO — CID 84785505

IUPAC3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
SMILESc1cc(CC2CCNC2)cc(OC2CC2)c1
InChIInChI=1S/C14H19NO/c1-2-11(8-12-6-7-15-10-12)9-14(3-1)16-13-4-5-13/h1-3,9,12-13,15H,4-8,10H2
InChIKeyVLHVOGGQHCJVJN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.38
Rot. Bonds4

About 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine

3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine (PubChem CID 84785505) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
PubChem CID84785505
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
SMILESc1cc(CC2CCNC2)cc(OC2CC2)c1
InChIInChI=1S/C14H19NO/c1-2-11(8-12-6-7-15-10-12)9-14(3-1)16-13-4-5-13/h1-3,9,12-13,15H,4-8,10H2
InChIKeyVLHVOGGQHCJVJN-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine
CID 154938667
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
(3-cyclopropyloxyphenyl)methanol
CID 57336629
4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114522674
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
3-[[4-(fluoromethyl)phenyl]methyl]pyrrolidine
CID 84665010
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine (CID 84785505) is 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine is c1cc(CC2CCNC2)cc(OC2CC2)c1.
What is the InChIKey of 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine?
The InChIKey is VLHVOGGQHCJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-11(8-12-6-7-15-10-12)9-14(3-1)16-13-4-5-13/h1-3,9,12-13,15H,4-8,10H2.
What are the key properties of 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine?
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine has a molecular weight of 217.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84785505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).