(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine

C13H18FN — CID 115025339

IUPAC(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)/C(=C/c1ccc(F)cc1)CN
InChIInChI=1S/C13H18FN/c1-13(2,3)11(9-15)8-10-4-6-12(14)7-5-10/h4-8H,9,15H2,1-3H3/b11-8+
InChIKeyWAQRMDPWTBMOLZ-DHZHZOJOSA-N
MW207.29 g/mol
LogP3.21
Rot. Bonds2

About (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine

(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine (PubChem CID 115025339) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
PubChem CID115025339
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)/C(=C/c1ccc(F)cc1)CN
InChIInChI=1S/C13H18FN/c1-13(2,3)11(9-15)8-10-4-6-12(14)7-5-10/h4-8H,9,15H2,1-3H3/b11-8+
InChIKeyWAQRMDPWTBMOLZ-DHZHZOJOSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine (CID 115025339) is (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The canonical SMILES for (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine is CC(C)(C)/C(=C/c1ccc(F)cc1)CN.
What is the InChIKey of (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
The InChIKey is WAQRMDPWTBMOLZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H18FN/c1-13(2,3)11(9-15)8-10-4-6-12(14)7-5-10/h4-8H,9,15H2,1-3H3/b11-8+.
What are the key properties of (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine?
(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115025339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).