3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine

C21H27NO — CID 3025364

IUPAC3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-17(2)15-22-14-13-20(16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3
InChIKeyGJMMSONUDQKXCX-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.52
Rot. Bonds6

About 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine

3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine (PubChem CID 3025364) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
PubChem CID3025364
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CCC(OC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-17(2)15-22-14-13-20(16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3
InChIKeyGJMMSONUDQKXCX-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
CID 124526306
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
(3R)-3-benzhydryloxy-1-(2-phenylethyl)piperidine
CID 131846441
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
2-[(3S)-3-methoxypyrrolidin-1-yl]-N-methyl-1-phenylethanamine
CID 135374431
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]acetic acid
CID 19874276
[4-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanol
CID 57265561
ethyl 4-(4-benzhydryloxypiperidin-1-yl)-3-oxobutanoate
CID 150642644
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine (CID 3025364) is 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CCC(OC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine?
The InChIKey is GJMMSONUDQKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(2)15-22-14-13-20(16-22)23-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-21H,13-16H2,1-2H3.
What are the key properties of 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine?
3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 3025364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).