1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine

C8H18FN — CID 130728282

IUPAC1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine
SMILESCC(C)CNC(C)(C)CF
InChIInChI=1S/C8H18FN/c1-7(2)5-10-8(3,4)6-9/h7,10H,5-6H2,1-4H3
InChIKeyGOOSGXRXFHYNFB-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.98
Rot. Bonds4

About 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine

1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine (PubChem CID 130728282) has the molecular formula C8H18FN and a molecular weight of 147.24 g/mol. Its IUPAC name is 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine
PubChem CID130728282
Molecular FormulaC8H18FN
Molecular Weight147.24 g/mol
Exact Mass147.14
IUPAC Name1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine
SMILESCC(C)CNC(C)(C)CF
InChIInChI=1S/C8H18FN/c1-7(2)5-10-8(3,4)6-9/h7,10H,5-6H2,1-4H3
InChIKeyGOOSGXRXFHYNFB-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine?
The IUPAC name of 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine (CID 130728282) is 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine.
What is the SMILES notation for 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine?
The canonical SMILES for 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine is CC(C)CNC(C)(C)CF.
What is the InChIKey of 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine?
The InChIKey is GOOSGXRXFHYNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN/c1-7(2)5-10-8(3,4)6-9/h7,10H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine?
1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine has a molecular weight of 147.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-N-(2-methylpropyl)propan-2-amine is sourced from PubChem (CID 130728282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).