(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine

C15H19ClFNO — CID 66892439

IUPAC(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine
SMILESCc1ccc(F)c(OC(C2CC2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C15H19ClFNO/c1-9-2-5-12(17)15(13(9)16)19-14(10-3-4-10)11-6-7-18-8-11/h2,5,10-11,14,18H,3-4,6-8H2,1H3/t11-,14?/m0/s1
InChIKeyKNMAHWZTOARBCB-ZSOXZCCMSA-N
MW283.77 g/mol
LogP3.55
Rot. Bonds4

About (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine

(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine (PubChem CID 66892439) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine
PubChem CID66892439
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine
SMILESCc1ccc(F)c(OC(C2CC2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C15H19ClFNO/c1-9-2-5-12(17)15(13(9)16)19-14(10-3-4-10)11-6-7-18-8-11/h2,5,10-11,14,18H,3-4,6-8H2,1H3/t11-,14?/m0/s1
InChIKeyKNMAHWZTOARBCB-ZSOXZCCMSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
CID 76807736
(3R)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66848895
(3S)-3-[(3-chloro-4-fluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66889324
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700
(3S)-3-[(R)-(4-chloro-2,3-difluorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892080
(3S)-3-[(1R)-1-(2-chloro-3,6-difluorophenoxy)-2-ethoxyethyl]pyrrolidine
CID 66861026
3-[(3-chloro-2-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 76656768
(3S)-3-[(R)-(2-chlorophenoxy)-cyclopropylmethyl]pyrrolidine
CID 66890173
(3R)-3-[(R)-(2,6-dichlorophenoxy)-(oxan-4-yl)methyl]pyrrolidine
CID 66860705
(3S)-3-[(S)-(4-chloro-2-cyclohexylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892355
(3S)-3-[(1S)-1-(3-chloro-2,6-difluorophenoxy)-3-methylbutyl]pyrrolidine
CID 66848802
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine (CID 66892439) is (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine is Cc1ccc(F)c(OC(C2CC2)[C@H]2CCNC2)c1Cl.
What is the InChIKey of (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
The InChIKey is KNMAHWZTOARBCB-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-9-2-5-12(17)15(13(9)16)19-14(10-3-4-10)11-6-7-18-8-11/h2,5,10-11,14,18H,3-4,6-8H2,1H3/t11-,14?/m0/s1.
What are the key properties of (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine?
(3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine has a molecular weight of 283.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine is sourced from PubChem (CID 66892439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).