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

C10H22FNO — CID 107446749

IUPACN-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine
SMILESCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C10H22FNO/c1-5-6-13-8-9(11)7-12-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyFCTNHSPIXBKEOS-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.14
Rot. Bonds6

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

N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine (PubChem CID 107446749) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine
PubChem CID107446749
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC NameN-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine
SMILESCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C10H22FNO/c1-5-6-13-8-9(11)7-12-10(2,3)4/h9,12H,5-8H2,1-4H3
InChIKeyFCTNHSPIXBKEOS-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine (CID 107446749) is N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine is CCCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine?
The InChIKey is FCTNHSPIXBKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-5-6-13-8-9(11)7-12-10(2,3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine?
N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine has a molecular weight of 191.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-propoxypropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 107446749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).