N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine

C8H18FNO — CID 107446614

IUPACN-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine
SMILESCOCC(F)CNC(C)(C)C
InChIInChI=1S/C8H18FNO/c1-8(2,3)10-5-7(9)6-11-4/h7,10H,5-6H2,1-4H3
InChIKeyXQKBCOWIXIDTSN-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.36
Rot. Bonds4

About N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine

N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine (PubChem CID 107446614) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine
PubChem CID107446614
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC NameN-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine
SMILESCOCC(F)CNC(C)(C)C
InChIInChI=1S/C8H18FNO/c1-8(2,3)10-5-7(9)6-11-4/h7,10H,5-6H2,1-4H3
InChIKeyXQKBCOWIXIDTSN-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine (CID 107446614) is N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine is COCC(F)CNC(C)(C)C.
What is the InChIKey of N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine?
The InChIKey is XQKBCOWIXIDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-8(2,3)10-5-7(9)6-11-4/h7,10H,5-6H2,1-4H3.
What are the key properties of N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine?
N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine has a molecular weight of 163.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methoxypropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).