(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine

C25H28N2O — CID 59730567

IUPAC(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(Oc2cccc(CN[C@H]3CCN[C@H]3c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m0/s1
InChIKeyWWRUURDZCUGKNH-DQEYMECFSA-N
MW372.51 g/mol
LogP5.23
Rot. Bonds7

About (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine

(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 59730567) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
PubChem CID59730567
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(Oc2cccc(CN[C@H]3CCN[C@H]3c3ccccc3)c2)cc1
InChIInChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m0/s1
InChIKeyWWRUURDZCUGKNH-DQEYMECFSA-N
XLogP5.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine
CID 69249147
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
(2R,3R)-N-[(5-ethylfuran-2-yl)methyl]-2-phenylpyrrolidin-3-amine
CID 69249184
1,3-bis(4-ethylphenoxy)benzene
CID 145452264
2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 19012951
(2S,3S)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 67819925
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(1S,2R,4S,5R)-6-[(3-phenoxyphenyl)methylamino]cyclohexane-1,2,3,4,5-pentol
CID 102478590

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine (CID 59730567) is (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine is CCc1ccc(Oc2cccc(CN[C@H]3CCN[C@H]3c3ccccc3)c2)cc1.
What is the InChIKey of (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is WWRUURDZCUGKNH-DQEYMECFSA-N. The full InChI is InChI=1S/C25H28N2O/c1-2-19-11-13-22(14-12-19)28-23-10-6-7-20(17-23)18-27-24-15-16-26-25(24)21-8-4-3-5-9-21/h3-14,17,24-27H,2,15-16,18H2,1H3/t24-,25-/m0/s1.
What are the key properties of (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine?
(2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 372.51 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[3-(4-ethylphenoxy)phenyl]methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 59730567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).