(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine

C18H22N2O — CID 120770365

IUPAC(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N2O/c1-21-18-10-6-5-9-15(18)11-20-12-16(17(19)13-20)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3/t16-,17+/m0/s1
InChIKeyAEDOHNZEPLXURI-DLBZAZTESA-N
MW282.39 g/mol
LogP2.62
Rot. Bonds4

About (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770365) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770365
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCOc1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N2O/c1-21-18-10-6-5-9-15(18)11-20-12-16(17(19)13-20)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3/t16-,17+/m0/s1
InChIKeyAEDOHNZEPLXURI-DLBZAZTESA-N
XLogP2.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770144
(3S,4R)-4-phenyl-1-[(2-prop-2-enoxyphenyl)methyl]pyrrolidin-3-amine
CID 120769958
(3S,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769852
(3S,4R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120760275
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
(3S,4R)-1-[(2-chloro-6-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770160
(3S,4R)-1-[(2-methoxy-5-nitrophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120761307
3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 120769853
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[[5-methoxy-2-(pyridin-2-ylmethoxy)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120769872

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine (CID 120770365) is (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine is COc1ccccc1CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is AEDOHNZEPLXURI-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-18-10-6-5-9-15(18)11-20-12-16(17(19)13-20)14-7-3-2-4-8-14/h2-10,16-17H,11-13,19H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).