2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine

C14H20FN — CID 79329556

IUPAC2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1F)CC
InChIInChI=1S/C14H20FN/c1-3-9-16-11-12(4-2)10-13-7-5-6-8-14(13)15/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyQTGFTGHUOCRLHD-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.62
Rot. Bonds6

About 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine

2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine (PubChem CID 79329556) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
PubChem CID79329556
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine
SMILESCCCNCC(=Cc1ccccc1F)CC
InChIInChI=1S/C14H20FN/c1-3-9-16-11-12(4-2)10-13-7-5-6-8-14(13)15/h5-8,10,16H,3-4,9,11H2,1-2H3
InChIKeyQTGFTGHUOCRLHD-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 79339795
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylidene]-N-propylbutan-1-amine
CID 79329735
2-[(5-methylthiophen-2-yl)methylidene]-N-propylbutan-1-amine
CID 79329770
2-[(4-ethylphenyl)methylidene]-N-propylbutan-1-amine
CID 79329321
N-propyl-2-(quinolin-2-ylmethylidene)butan-1-amine
CID 79329672
(E)-4-(2-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093674
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)butan-1-amine
CID 79330340
N-propyl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79330093
(2E)-2-[(3-chloro-2-fluorophenyl)methylidene]-N-ethylbutan-1-amine
CID 114489335
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]-N-propylbutan-1-amine
CID 79328718

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine (CID 79329556) is 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine is CCCNCC(=Cc1ccccc1F)CC.
What is the InChIKey of 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine?
The InChIKey is QTGFTGHUOCRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-3-9-16-11-12(4-2)10-13-7-5-6-8-14(13)15/h5-8,10,16H,3-4,9,11H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine?
2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine has a molecular weight of 221.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylidene]-N-propylbutan-1-amine is sourced from PubChem (CID 79329556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).