4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline

C12H19FN2 — CID 134316618

IUPAC4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
SMILESCCC(c1ccc(NC)cc1)C(N)CF
InChIInChI=1S/C12H19FN2/c1-3-11(12(14)8-13)9-4-6-10(15-2)7-5-9/h4-7,11-12,15H,3,8,14H2,1-2H3
InChIKeyMZVJCOIXAOQPTF-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.52
Rot. Bonds5

About 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline

4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline (PubChem CID 134316618) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
PubChem CID134316618
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
SMILESCCC(c1ccc(NC)cc1)C(N)CF
InChIInChI=1S/C12H19FN2/c1-3-11(12(14)8-13)9-4-6-10(15-2)7-5-9/h4-7,11-12,15H,3,8,14H2,1-2H3
InChIKeyMZVJCOIXAOQPTF-UHFFFAOYSA-N
XLogP2.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline?
The IUPAC name of 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline (CID 134316618) is 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline.
What is the SMILES notation for 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline?
The canonical SMILES for 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline is CCC(c1ccc(NC)cc1)C(N)CF.
What is the InChIKey of 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline?
The InChIKey is MZVJCOIXAOQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-11(12(14)8-13)9-4-6-10(15-2)7-5-9/h4-7,11-12,15H,3,8,14H2,1-2H3.
What are the key properties of 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline?
4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline has a molecular weight of 210.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline is sourced from PubChem (CID 134316618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).