N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine

C15H22FNO — CID 79338705

IUPACN-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1ccc(OC)c(F)c1)C(C)C
InChIInChI=1S/C15H22FNO/c1-5-17-10-13(11(2)3)8-12-6-7-15(18-4)14(16)9-12/h6-9,11,17H,5,10H2,1-4H3
InChIKeyPWKOZSJFGABHOG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine

N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine (PubChem CID 79338705) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
PubChem CID79338705
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine
SMILESCCNCC(=Cc1ccc(OC)c(F)c1)C(C)C
InChIInChI=1S/C15H22FNO/c1-5-17-10-13(11(2)3)8-12-6-7-15(18-4)14(16)9-12/h6-9,11,17H,5,10H2,1-4H3
InChIKeyPWKOZSJFGABHOG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methylidene]-N-ethyl-3-methylbutan-1-amine
CID 79339699
N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
2-[(4-methoxy-3-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339654
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
2-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79342187
N-ethyl-3-methyl-2-[(2,4,6-trimethoxyphenyl)methylidene]butan-1-amine
CID 79341964
N-ethyl-2-[(2-methoxynaphthalen-1-yl)methylidene]-3-methylbutan-1-amine
CID 79341734
2-[(3-fluoro-4-methylphenyl)methylidene]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79339839
2-[(3-chloro-4-methoxyphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339633
2-[(3-methoxy-4-propoxyphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339418
4-(3-chloro-2-methylprop-1-enyl)-2-fluoro-1-methoxybenzene
CID 79323277

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine (CID 79338705) is N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine is CCNCC(=Cc1ccc(OC)c(F)c1)C(C)C.
What is the InChIKey of N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
The InChIKey is PWKOZSJFGABHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-5-17-10-13(11(2)3)8-12-6-7-15(18-4)14(16)9-12/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine?
N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-fluoro-4-methoxyphenyl)methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79338705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).