(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine

C15H22ClNO — CID 86320445

IUPAC(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine
SMILESCC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CCNC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-8-13(16)4-5-15(14)18-10-12-6-7-17-9-12/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyQZAHRHHMKIMSBB-VXGBXAGGSA-N
MW267.80 g/mol
LogP3.84
Rot. Bonds5

About (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine

(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine (PubChem CID 86320445) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine
PubChem CID86320445
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine
SMILESCC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CCNC1
InChIInChI=1S/C15H22ClNO/c1-3-11(2)14-8-13(16)4-5-15(14)18-10-12-6-7-17-9-12/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyQZAHRHHMKIMSBB-VXGBXAGGSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[2-[2-[(2R)-butan-2-yl]-4-chlorophenoxy]ethyl]piperidine
CID 86320429
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
4-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322426
(3S)-3-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86320109
(3R)-3-[(2-tert-butyl-4-chlorophenoxy)methyl]pyrrolidine
CID 86320408
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]pyrrolidine
CID 86320096
(3S)-3-[2-[(2S)-butan-2-yl]-4-chlorophenoxy]piperidine
CID 86322422
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
3-[(2-benzyl-4-chlorophenoxy)methyl]pyrrolidine
CID 56830487
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
(3S)-3-[[2-bromo-4-[(2S)-butan-2-yl]phenoxy]methyl]piperidine
CID 86322062
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine?
The IUPAC name of (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine (CID 86320445) is (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine is CC[C@@H](C)c1cc(Cl)ccc1OC[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine?
The InChIKey is QZAHRHHMKIMSBB-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-11(2)14-8-13(16)4-5-15(14)18-10-12-6-7-17-9-12/h4-5,8,11-12,17H,3,6-7,9-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine?
(3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine has a molecular weight of 267.80 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-[(2R)-butan-2-yl]-4-chlorophenoxy]methyl]pyrrolidine is sourced from PubChem (CID 86320445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).