(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine

C18H22N2O — CID 11616159

IUPAC(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCN[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O/c1-21-17-10-6-5-9-15(17)13-20-16-11-12-19-18(16)14-7-3-2-4-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyQWVZERSEHNWXGU-WMZOPIPTSA-N
MW282.39 g/mol
LogP2.89
Rot. Bonds5

About (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine

(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 11616159) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
PubChem CID11616159
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCN[C@H]1c1ccccc1
InChIInChI=1S/C18H22N2O/c1-21-17-10-6-5-9-15(17)13-20-16-11-12-19-18(16)14-7-3-2-4-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18-/m0/s1
InChIKeyQWVZERSEHNWXGU-WMZOPIPTSA-N
XLogP2.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-N-[[5-(2,2-difluoropropyl)-2-methoxyphenyl]methyl]-2-phenylpyrrolidin-3-amine
CID 11501378
N-[(2-methoxyphenyl)methyl]-5-methylidene-2-phenylpiperidin-3-amine
CID 19012926
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine (CID 11616159) is (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine is COc1ccccc1CN[C@H]1CCN[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is QWVZERSEHNWXGU-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-10-6-5-9-15(17)13-20-16-11-12-19-18(16)14-7-3-2-4-8-14/h2-10,16,18-20H,11-13H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine?
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 11616159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).