1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine

C17H16N2OS — CID 15707877

IUPAC1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine
SMILESCOc1cccc(/C=N/Cc2sccc2-n2cccc2)c1
InChIInChI=1S/C17H16N2OS/c1-20-15-6-4-5-14(11-15)12-18-13-17-16(7-10-21-17)19-8-2-3-9-19/h2-12H,13H2,1H3/b18-12+
InChIKeyJUVQUWPADGYLEY-LDADJPATSA-N
MW296.40 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine

1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine (PubChem CID 15707877) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine
PubChem CID15707877
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine
SMILESCOc1cccc(/C=N/Cc2sccc2-n2cccc2)c1
InChIInChI=1S/C17H16N2OS/c1-20-15-6-4-5-14(11-15)12-18-13-17-16(7-10-21-17)19-8-2-3-9-19/h2-12H,13H2,1H3/b18-12+
InChIKeyJUVQUWPADGYLEY-LDADJPATSA-N
XLogP4.17
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
CID 18915525
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
CID 23423541
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
1-[3-[(4-methoxyphenyl)iminomethyl]phenyl]-N-[(4-methoxyphenyl)methyl]methanimine
CID 160577318
5-methoxy-2-pyrrol-1-ylbenzaldehyde
CID 121010613
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfinamide
CID 177454051
N-[(Z)-(3-methoxyphenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5425302
7-[(Z)-(3-methoxyphenyl)methylideneamino]-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one
CID 134873971

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine (CID 15707877) is 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine is COc1cccc(/C=N/Cc2sccc2-n2cccc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine?
The InChIKey is JUVQUWPADGYLEY-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-20-15-6-4-5-14(11-15)12-18-13-17-16(7-10-21-17)19-8-2-3-9-19/h2-12H,13H2,1H3/b18-12+.
What are the key properties of 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine?
1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine has a molecular weight of 296.40 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine is sourced from PubChem (CID 15707877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).