(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine

C21H28N2O — CID 134924028

IUPAC(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-24-17-20-13-8-16-23(20)22-21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-22H,8,13-17H2,1H3/t20-,21+/m0/s1
InChIKeyBECWFJWEHNRYPQ-LEWJYISDSA-N
MW324.47 g/mol
LogP3.98
Rot. Bonds8

About (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine

(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine (PubChem CID 134924028) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
PubChem CID134924028
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine
SMILESCOC[C@@H]1CCCN1N[C@H](CCc1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O/c1-24-17-20-13-8-16-23(20)22-21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-22H,8,13-17H2,1H3/t20-,21+/m0/s1
InChIKeyBECWFJWEHNRYPQ-LEWJYISDSA-N
XLogP3.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(methoxymethyl)-N-[(2R)-4-phenylbutan-2-yl]pyrrolidin-1-amine
CID 135000070
(2S)-2-(methoxymethyl)-N-[(3R)-4-methyl-1-phenylpentan-3-yl]pyrrolidin-1-amine
CID 135001015
(2S)-N-[(3S,4R)-3-benzylsulfanyl-1-phenyloctan-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11247681
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
(2S)-N-[(3S,4R)-3-benzylsulfanyl-2-methyloctan-4-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11153167
(2S)-N-[(2S,3R)-2-benzylsulfanyl-1-phenylheptan-3-yl]-2-(methoxymethyl)pyrrolidin-1-amine
CID 11235668
CID 10875591
CID 10875591
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylthiourea
CID 135042441
[(1R,2R)-3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87106744
[(1R,2R)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107130
CID 10925908
CID 10925908
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The IUPAC name of (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine (CID 134924028) is (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine.
What is the SMILES notation for (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The canonical SMILES for (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine is COC[C@@H]1CCCN1N[C@H](CCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine?
The InChIKey is BECWFJWEHNRYPQ-LEWJYISDSA-N. The full InChI is InChI=1S/C21H28N2O/c1-24-17-20-13-8-16-23(20)22-21(19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20-22H,8,13-17H2,1H3/t20-,21+/m0/s1.
What are the key properties of (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine?
(2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1,3-diphenylpropyl]-2-(methoxymethyl)pyrrolidin-1-amine is sourced from PubChem (CID 134924028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).