1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol

C24H26N2O2 — CID 135757849

IUPAC1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
SMILESCOc1cccc([C@H](C/N=C/c2c(O)ccc3ccccc23)N2CCCC2)c1
InChIInChI=1S/C24H26N2O2/c1-28-20-9-6-8-19(15-20)23(26-13-4-5-14-26)17-25-16-22-21-10-3-2-7-18(21)11-12-24(22)27/h2-3,6-12,15-16,23,27H,4-5,13-14,17H2,1H3/b25-16+/t23-/m0/s1
InChIKeySQVWSFQZKCOEGT-AJPHYDNBSA-N
MW374.48 g/mol
LogP4.81
Rot. Bonds6

About 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol

1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol (PubChem CID 135757849) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
PubChem CID135757849
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
SMILESCOc1cccc([C@H](C/N=C/c2c(O)ccc3ccccc23)N2CCCC2)c1
InChIInChI=1S/C24H26N2O2/c1-28-20-9-6-8-19(15-20)23(26-13-4-5-14-26)17-25-16-22-21-10-3-2-7-18(21)11-12-24(22)27/h2-3,6-12,15-16,23,27H,4-5,13-14,17H2,1H3/b25-16+/t23-/m0/s1
InChIKeySQVWSFQZKCOEGT-AJPHYDNBSA-N
XLogP4.81
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-4-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-2-methylpyridin-3-ol
CID 135828813
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111030442
1,3-diethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110924791
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135596533
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
CID 135758285
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine
CID 110913763
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
1-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-ol
CID 57387489

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol (CID 135757849) is 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol is COc1cccc([C@H](C/N=C/c2c(O)ccc3ccccc23)N2CCCC2)c1.
What is the InChIKey of 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol?
The InChIKey is SQVWSFQZKCOEGT-AJPHYDNBSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-20-9-6-8-19(15-20)23(26-13-4-5-14-26)17-25-16-22-21-10-3-2-7-18(21)11-12-24(22)27/h2-3,6-12,15-16,23,27H,4-5,13-14,17H2,1H3/b25-16+/t23-/m0/s1.
What are the key properties of 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol?
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol has a molecular weight of 374.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135757849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).