(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine

C19H23NO — CID 135021339

IUPAC(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
SMILESCOc1ccc(N2[C@H](c3ccccc3)CCC2(C)C)cc1
InChIInChI=1S/C19H23NO/c1-19(2)14-13-18(15-7-5-4-6-8-15)20(19)16-9-11-17(21-3)12-10-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyBPCHVPPWUDSMTA-SFHVURJKSA-N
MW281.40 g/mol
LogP4.82
Rot. Bonds3

About (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine

(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine (PubChem CID 135021339) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine.

Molecular Properties

Compound Name(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
PubChem CID135021339
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
SMILESCOc1ccc(N2[C@H](c3ccccc3)CCC2(C)C)cc1
InChIInChI=1S/C19H23NO/c1-19(2)14-13-18(15-7-5-4-6-8-15)20(19)16-9-11-17(21-3)12-10-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1
InChIKeyBPCHVPPWUDSMTA-SFHVURJKSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 102411594
CID 102411594
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(3R,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129428100
(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
CID 71378075
(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
(3R)-3-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 10316011
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(3aR,4R,7S,7aS)-2-[4-(4-methoxyphenoxy)phenyl]-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126085929

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine?
The IUPAC name of (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine (CID 135021339) is (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine.
What is the SMILES notation for (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine?
The canonical SMILES for (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine is COc1ccc(N2[C@H](c3ccccc3)CCC2(C)C)cc1.
What is the InChIKey of (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine?
The InChIKey is BPCHVPPWUDSMTA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2)14-13-18(15-7-5-4-6-8-15)20(19)16-9-11-17(21-3)12-10-16/h4-12,18H,13-14H2,1-3H3/t18-/m0/s1.
What are the key properties of (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine?
(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine has a molecular weight of 281.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine is sourced from PubChem (CID 135021339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).