(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine

C14H13Cl2NO — CID 86322028

IUPAC(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
SMILESClc1cc(Cl)c2ccccc2c1O[C@H]1CCNC1
InChIInChI=1S/C14H13Cl2NO/c15-12-7-13(16)14(18-9-5-6-17-8-9)11-4-2-1-3-10(11)12/h1-4,7,9,17H,5-6,8H2/t9-/m0/s1
InChIKeyFXIDKJYZEJWDCH-VIFPVBQESA-N
MW282.17 g/mol
LogP3.89
Rot. Bonds2

About (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine

(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine (PubChem CID 86322028) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
PubChem CID86322028
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
SMILESClc1cc(Cl)c2ccccc2c1O[C@H]1CCNC1
InChIInChI=1S/C14H13Cl2NO/c15-12-7-13(16)14(18-9-5-6-17-8-9)11-4-2-1-3-10(11)12/h1-4,7,9,17H,5-6,8H2/t9-/m0/s1
InChIKeyFXIDKJYZEJWDCH-VIFPVBQESA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine
CID 56830677
4-[2-(2,4-dichloronaphthalen-1-yl)oxyethyl]piperidine;hydrochloride
CID 53410049
4-(4-chloronaphthalen-1-yl)oxyazepane
CID 63904845
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
3-(4-chloro-2-phenylphenoxy)pyrrolidine;hydrochloride
CID 56830904
3-(2,4,6-trimethylphenoxy)pyrrolidine
CID 83532626
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3,5-dichloro-2-pyrrolidin-3-yloxypyridine
CID 62347674
(3S)-3-[2,6-di(propan-2-yl)phenoxy]pyrrolidine
CID 115460410
methyl (2S,4S)-4-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine-2-carboxylate
CID 56831325
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine?
The IUPAC name of (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine (CID 86322028) is (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine.
What is the SMILES notation for (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine?
The canonical SMILES for (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine is Clc1cc(Cl)c2ccccc2c1O[C@H]1CCNC1.
What is the InChIKey of (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine?
The InChIKey is FXIDKJYZEJWDCH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13Cl2NO/c15-12-7-13(16)14(18-9-5-6-17-8-9)11-4-2-1-3-10(11)12/h1-4,7,9,17H,5-6,8H2/t9-/m0/s1.
What are the key properties of (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine?
(3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine has a molecular weight of 282.17 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,4-dichloronaphthalen-1-yl)oxypyrrolidine is sourced from PubChem (CID 86322028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).