(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine

C14H19Cl2NO — CID 66854507

IUPAC(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)14(10-3-4-17-8-10)18-13-6-11(15)5-12(16)7-13/h5-7,9-10,14,17H,3-4,8H2,1-2H3/t10-,14+/m1/s1
InChIKeyRWTMFVNVJWKLKE-YGRLFVJLSA-N
MW288.22 g/mol
LogP4.01
Rot. Bonds4

About (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine

(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine (PubChem CID 66854507) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
PubChem CID66854507
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine
SMILESCC(C)[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1
InChIInChI=1S/C14H19Cl2NO/c1-9(2)14(10-3-4-17-8-10)18-13-6-11(15)5-12(16)7-13/h5-7,9-10,14,17H,3-4,8H2,1-2H3/t10-,14+/m1/s1
InChIKeyRWTMFVNVJWKLKE-YGRLFVJLSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1S)-1-(4-chlorophenoxy)-2-methylpropyl]pyrrolidine;hydrochloride
CID 56602587
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-3-methylbutyl]pyrrolidine
CID 66892236
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
3-[(1S)-1-(3-fluorophenoxy)-2-methylpropyl]pyrrolidine
CID 66848319
3-[1-[4-chloro-2-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848899
3-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylpropyl]pyrrolidine
CID 66848683
(3S)-3-[(R)-(3,5-dichlorophenoxy)-(furan-3-yl)methyl]pyrrolidine
CID 66752351
4-(2-methyl-1-piperidin-3-ylpropoxy)benzonitrile
CID 68968804
3-[(1S)-1-(4-chloro-3,5-dimethylphenoxy)propyl]pyrrolidine
CID 66892676
3-[(1S)-1-(4-chloro-2,6-difluorophenoxy)propyl]pyrrolidine
CID 66889861
1-[4-(2-hydroxy-1-pyrrolidin-3-ylpropoxy)phenyl]ethanone
CID 67557072

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine?
The IUPAC name of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine (CID 66854507) is (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine is CC(C)[C@H](Oc1cc(Cl)cc(Cl)c1)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine?
The InChIKey is RWTMFVNVJWKLKE-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-9(2)14(10-3-4-17-8-10)18-13-6-11(15)5-12(16)7-13/h5-7,9-10,14,17H,3-4,8H2,1-2H3/t10-,14+/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine?
(3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine has a molecular weight of 288.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(3,5-dichlorophenoxy)-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 66854507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).