(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine

C17H21NO — CID 66892345

IUPAC(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
SMILESCCC(Oc1cccc2ccccc12)[C@H]1CCNC1
InChIInChI=1S/C17H21NO/c1-2-16(14-10-11-18-12-14)19-17-9-5-7-13-6-3-4-8-15(13)17/h3-9,14,16,18H,2,10-12H2,1H3/t14-,16?/m0/s1
InChIKeyVAIUFYBCMGCDMT-LBAUFKAWSA-N
MW255.36 g/mol
LogP3.61
Rot. Bonds4

About (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine

(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine (PubChem CID 66892345) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
PubChem CID66892345
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
SMILESCCC(Oc1cccc2ccccc12)[C@H]1CCNC1
InChIInChI=1S/C17H21NO/c1-2-16(14-10-11-18-12-14)19-17-9-5-7-13-6-3-4-8-15(13)17/h3-9,14,16,18H,2,10-12H2,1H3/t14-,16?/m0/s1
InChIKeyVAIUFYBCMGCDMT-LBAUFKAWSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061
3-[(2-methylphenyl)-naphthalen-1-yloxymethyl]pyrrolidine
CID 66755321
(3S)-3-[(1S)-1-(2-ethyl-4-fluorophenoxy)propyl]pyrrolidine
CID 66848796
(3S)-3-[(1R)-1-(2-chlorophenoxy)butyl]pyrrolidine
CID 66892158
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
(3S)-3-[(1S)-1-(4-chloro-2-methylphenoxy)propyl]pyrrolidine
CID 66890259
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
(3S)-3-[(1R)-1-(3-chloro-2-fluorophenoxy)butyl]pyrrolidine
CID 66891122
3-[(1S)-1-(2,3-dichlorophenoxy)-2-methylsulfanylethyl]pyrrolidine
CID 66848829
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine?
The IUPAC name of (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine (CID 66892345) is (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine?
The canonical SMILES for (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine is CCC(Oc1cccc2ccccc12)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine?
The InChIKey is VAIUFYBCMGCDMT-LBAUFKAWSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-16(14-10-11-18-12-14)19-17-9-5-7-13-6-3-4-8-15(13)17/h3-9,14,16,18H,2,10-12H2,1H3/t14-,16?/m0/s1.
What are the key properties of (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine?
(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine has a molecular weight of 255.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine is sourced from PubChem (CID 66892345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).