N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine

C17H26N2O2 — CID 135149459

IUPACN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
SMILESCOC[C@@H]1CCCN1N=CC(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-14(10-15-6-4-8-17(11-15)21-3)12-18-19-9-5-7-16(19)13-20-2/h4,6,8,11-12,14,16H,5,7,9-10,13H2,1-3H3/t14?,16-/m0/s1
InChIKeyFJTUUBHHLHLDBU-WMCAAGNKSA-N
MW290.41 g/mol
LogP2.97
Rot. Bonds7

About N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine

N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine (PubChem CID 135149459) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
PubChem CID135149459
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine
SMILESCOC[C@@H]1CCCN1N=CC(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H26N2O2/c1-14(10-15-6-4-8-17(11-15)21-3)12-18-19-9-5-7-16(19)13-20-2/h4,6,8,11-12,14,16H,5,7,9-10,13H2,1-3H3/t14?,16-/m0/s1
InChIKeyFJTUUBHHLHLDBU-WMCAAGNKSA-N
XLogP2.97
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine?
The IUPAC name of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine (CID 135149459) is N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine.
What is the SMILES notation for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine?
The canonical SMILES for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine is COC[C@@H]1CCCN1N=CC(C)Cc1cccc(OC)c1.
What is the InChIKey of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine?
The InChIKey is FJTUUBHHLHLDBU-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(10-15-6-4-8-17(11-15)21-3)12-18-19-9-5-7-16(19)13-20-2/h4,6,8,11-12,14,16H,5,7,9-10,13H2,1-3H3/t14?,16-/m0/s1.
What are the key properties of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine?
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine has a molecular weight of 290.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)-2-methylpropan-1-imine is sourced from PubChem (CID 135149459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).