N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine

C11H24FNO — CID 161286342

IUPACN-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C11H24FNO/c1-5-6-7-14-9-10(12)8-13-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyCTQMHQRUVWDZAH-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.53
Rot. Bonds7

About N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine

N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine (PubChem CID 161286342) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine
PubChem CID161286342
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC NameN-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine
SMILESCCCCOCC(F)CNC(C)(C)C
InChIInChI=1S/C11H24FNO/c1-5-6-7-14-9-10(12)8-13-11(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyCTQMHQRUVWDZAH-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.53
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-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine (CID 161286342) is N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine is CCCCOCC(F)CNC(C)(C)C.
What is the InChIKey of N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine?
The InChIKey is CTQMHQRUVWDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-5-6-7-14-9-10(12)8-13-11(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine?
N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine has a molecular weight of 205.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2-fluoropropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 161286342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).