1-(3-methoxyphenyl)-N-propan-2-ylmethanimine

C11H15NO — CID 23423541

IUPAC1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
SMILESCOc1cccc(/C=N/C(C)C)c1
InChIInChI=1S/C11H15NO/c1-9(2)12-8-10-5-4-6-11(7-10)13-3/h4-9H,1-3H3/b12-8+
InChIKeyHKMBOQDDARZGHD-XYOKQWHBSA-N
MW177.25 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine

1-(3-methoxyphenyl)-N-propan-2-ylmethanimine (PubChem CID 23423541) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
PubChem CID23423541
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-methoxyphenyl)-N-propan-2-ylmethanimine
SMILESCOc1cccc(/C=N/C(C)C)c1
InChIInChI=1S/C11H15NO/c1-9(2)12-8-10-5-4-6-11(7-10)13-3/h4-9H,1-3H3/b12-8+
InChIKeyHKMBOQDDARZGHD-XYOKQWHBSA-N
XLogP2.52
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
CID 139982453
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
(2S)-2-hydroxy-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 5413551
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
N-(3,5-dichlorophenyl)-1-(3-methoxyphenyl)methanimine
CID 932077
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266
1-(3-methoxyphenyl)-N-prop-2-ynylmethanimine
CID 18915525
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
N-[(3-methoxyphenyl)methylideneamino]-N-methylaniline
CID 3291693
N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 6011810

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine (CID 23423541) is 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine is COc1cccc(/C=N/C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine?
The InChIKey is HKMBOQDDARZGHD-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(2)12-8-10-5-4-6-11(7-10)13-3/h4-9H,1-3H3/b12-8+.
What are the key properties of 1-(3-methoxyphenyl)-N-propan-2-ylmethanimine?
1-(3-methoxyphenyl)-N-propan-2-ylmethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.52, 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-propan-2-ylmethanimine is sourced from PubChem (CID 23423541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).