2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine

C14H20FN — CID 79329580

IUPAC2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1cccc(F)c1)CNC(C)C
InChIInChI=1S/C14H20FN/c1-4-12(10-16-11(2)3)8-13-6-5-7-14(15)9-13/h5-9,11,16H,4,10H2,1-3H3
InChIKeyLFHLAPPXZLRUIE-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.62
Rot. Bonds5

About 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine

2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 79329580) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID79329580
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCCC(=Cc1cccc(F)c1)CNC(C)C
InChIInChI=1S/C14H20FN/c1-4-12(10-16-11(2)3)8-13-6-5-7-14(15)9-13/h5-9,11,16H,4,10H2,1-3H3
InChIKeyLFHLAPPXZLRUIE-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110
2-[(3-fluoro-4-methoxyphenyl)methylidene]-N-propan-2-ylbutan-1-amine
CID 79330355
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
CID 113328651
2-(furan-3-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79329909
N-propan-2-yl-2-(quinolin-6-ylmethylidene)butan-1-amine
CID 79328770
(E)-4-(3-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093795
2-ethyl-5-phenyl-N-propan-2-ylpenta-2,4-dien-1-amine
CID 79328984
N-[2-[(3-fluorophenyl)methylidene]-3-methylbutyl]cyclopropanamine
CID 79338744
2-[(3-methoxyphenyl)methylidene]-N-(2-methylpropyl)butan-1-amine
CID 79339218
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
2-methyl-N-propan-2-yl-3-(3-propoxyphenyl)prop-2-en-1-amine
CID 79340094
N-ethylethanamine;3-fluorobenzaldehyde
CID 18958425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 79329580) is 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine is CCC(=Cc1cccc(F)c1)CNC(C)C.
What is the InChIKey of 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is LFHLAPPXZLRUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-4-12(10-16-11(2)3)8-13-6-5-7-14(15)9-13/h5-9,11,16H,4,10H2,1-3H3.
What are the key properties of 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine?
2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79329580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).