1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine

C14H18FNO — CID 143006150

IUPAC1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
SMILES[H]/N=C(\CC)c1ccc(OCC(=C)CC)cc1F
InChIInChI=1S/C14H18FNO/c1-4-10(3)9-17-11-6-7-12(13(15)8-11)14(16)5-2/h6-8,16H,3-5,9H2,1-2H3/b16-14+
InChIKeySCWREVVXWTXFNR-JQIJEIRASA-N
MW235.30 g/mol
LogP3.95
Rot. Bonds6

About 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine

1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine (PubChem CID 143006150) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
PubChem CID143006150
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine
SMILES[H]/N=C(\CC)c1ccc(OCC(=C)CC)cc1F
InChIInChI=1S/C14H18FNO/c1-4-10(3)9-17-11-6-7-12(13(15)8-11)14(16)5-2/h6-8,16H,3-5,9H2,1-2H3/b16-14+
InChIKeySCWREVVXWTXFNR-JQIJEIRASA-N
XLogP3.95
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
1-[4-[2-(chloromethyl)prop-2-enoxy]-2-fluorophenyl]ethanone
CID 107715578
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
ethyl 5-(4-acetyl-3-fluorophenoxy)-4-oxopentanoate
CID 103520063
1-(4-butoxy-2-fluorophenyl)ethanone
CID 2773433
4-chloro-2-(2-methylidenebutoxy)benzoic acid
CID 66046369
4-bromo-1-fluoro-2-(2-methylidenebutoxy)benzene
CID 114672615
4-[2-(ethylamino)-2-oxoethoxy]-2-fluorobenzoic acid
CID 107675462
[3-fluoro-4-(2-methylidenebutoxy)phenyl]methanol
CID 107690695
[4-fluoro-3-(2-methylidenebutoxy)phenyl]boronic acid
CID 114674680
1-(2-fluoro-4-propoxyphenyl)prop-2-en-1-one
CID 19101297
(1S)-1-[3-(2-methylidenebutoxy)phenyl]ethanamine
CID 66046862

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The IUPAC name of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine (CID 143006150) is 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine.
What is the SMILES notation for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The canonical SMILES for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine is [H]/N=C(\CC)c1ccc(OCC(=C)CC)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
The InChIKey is SCWREVVXWTXFNR-JQIJEIRASA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-10(3)9-17-11-6-7-12(13(15)8-11)14(16)5-2/h6-8,16H,3-5,9H2,1-2H3/b16-14+.
What are the key properties of 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine?
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine has a molecular weight of 235.30 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]propan-1-imine is sourced from PubChem (CID 143006150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).