1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine

C11H11NO — CID 18915525

IUPAC1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1cccc(OC)c1
InChIInChI=1S/C11H11NO/c1-3-7-12-9-10-5-4-6-11(8-10)13-2/h1,4-6,8-9H,7H2,2H3/b12-9+
InChIKeyFGEYKFRCSHDIIQ-FMIVXFBMSA-N
MW173.21 g/mol
LogP1.75
Rot. Bonds3

About 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine

1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine (PubChem CID 18915525) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
PubChem CID18915525
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
SMILESC#CC/N=C/c1cccc(OC)c1
InChIInChI=1S/C11H11NO/c1-3-7-12-9-10-5-4-6-11(8-10)13-2/h1,4-6,8-9H,7H2,2H3/b12-9+
InChIKeyFGEYKFRCSHDIIQ-FMIVXFBMSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-prop-2-ynylmethanimine
CID 4172560
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-chlorophenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]methanimine
CID 18915692
4-fluoro-N-[(3-methoxyphenyl)methylideneamino]aniline
CID 3406513
4-chloro-N-[(Z)-(3-methoxyphenyl)methylideneamino]aniline
CID 6039308
N-(4-ethylphenyl)-1-(3-methoxyphenyl)methanimine
CID 126208711
(NZ)-N-[[3-(4-methoxyphenoxy)phenyl]methylidene]hydroxylamine
CID 59496691
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
1-(3-methoxyphenyl)-N-[(3-pyrrol-1-ylthiophen-2-yl)methyl]methanimine
CID 15707877

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine (CID 18915525) is 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine is C#CC/N=C/c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine?
The InChIKey is FGEYKFRCSHDIIQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-7-12-9-10-5-4-6-11(8-10)13-2/h1,4-6,8-9H,7H2,2H3/b12-9+.
What are the key properties of 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine?
1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine has a molecular weight of 173.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine is sourced from PubChem (CID 18915525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).