(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine

C22H29NO — CID 59628806

IUPAC(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine
SMILESCOC(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H29NO/c1-15-9-16(2)12-19(11-15)22(24-5,21-7-6-8-23-21)20-13-17(3)10-18(4)14-20/h9-14,21,23H,6-8H2,1-5H3/t21-/m0/s1
InChIKeyVIKGYBJDJFXSSU-NRFANRHFSA-N
MW323.48 g/mol
LogP4.56
Rot. Bonds4

About (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine

(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine (PubChem CID 59628806) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine
PubChem CID59628806
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine
SMILESCOC(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)[C@@H]1CCCN1
InChIInChI=1S/C22H29NO/c1-15-9-16(2)12-19(11-15)22(24-5,21-7-6-8-23-21)20-13-17(3)10-18(4)14-20/h9-14,21,23H,6-8H2,1-5H3/t21-/m0/s1
InChIKeyVIKGYBJDJFXSSU-NRFANRHFSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 204385
(1S,5R)-3-phenyl-3-phenylmethoxy-8-azabicyclo[3.2.1]octane
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Cyclopropylmethyl-[1-(3,5-dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-amine
CID 44299898
[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-methyl-amine
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[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-ethyl-amine
CID 44299969
2-Methyl-2-phenylmorpholine hydrochloride
CID 3066036
(S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether
CID 11198150
(2S)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((trimethylsilyl)oxy)methyl)pyrrolidine
CID 11284830
(S)-Bis(3,5-dimethylphenyl)(pyrrolidin-2-yl)methanol
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(S)-2-(Methoxydiphenylmethyl)pyrrolidine
CID 11694649

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine?
The IUPAC name of (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine (CID 59628806) is (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine is COC(c1cc(C)cc(C)c1)(c1cc(C)cc(C)c1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine?
The InChIKey is VIKGYBJDJFXSSU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H29NO/c1-15-9-16(2)12-19(11-15)22(24-5,21-7-6-8-23-21)20-13-17(3)10-18(4)14-20/h9-14,21,23H,6-8H2,1-5H3/t21-/m0/s1.
What are the key properties of (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine?
(2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine has a molecular weight of 323.48 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(3,5-dimethylphenyl)-methoxymethyl]pyrrolidine is sourced from PubChem (CID 59628806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).