[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone

C18H19ClN2O2 — CID 119411536

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-10-9-15(20)11-21/h1-8,15H,9-12,20H2/t15-/m1/s1
InChIKeyRFPTZCBBDIXTLA-OAHLLOKOSA-N
MW330.82 g/mol
LogP3.09
Rot. Bonds4

About [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone (PubChem CID 119411536) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
PubChem CID119411536
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-10-9-15(20)11-21/h1-8,15H,9-12,20H2/t15-/m1/s1
InChIKeyRFPTZCBBDIXTLA-OAHLLOKOSA-N
XLogP3.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-chlorophenyl)methoxy]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561822
1-[2-[(4-chlorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119354683
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
(4-aminopiperidin-1-yl)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 119374451
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone (CID 119411536) is [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone is N[C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
The InChIKey is RFPTZCBBDIXTLA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)12-23-17-4-2-1-3-16(17)18(22)21-10-9-15(20)11-21/h1-8,15H,9-12,20H2/t15-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-[(4-chlorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 119411536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).