3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine

C11H24FNO — CID 107443588

IUPAC3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine
SMILESCOCCC(C)C(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO/c1-8(2)10(7-13)11(12)9(3)5-6-14-4/h8-11H,5-7,13H2,1-4H3
InChIKeySWWHSIBXNSZCLK-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.23
Rot. Bonds7

About 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine

3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine (PubChem CID 107443588) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine
PubChem CID107443588
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC Name3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine
SMILESCOCCC(C)C(F)C(CN)C(C)C
InChIInChI=1S/C11H24FNO/c1-8(2)10(7-13)11(12)9(3)5-6-14-4/h8-11H,5-7,13H2,1-4H3
InChIKeySWWHSIBXNSZCLK-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine?
The IUPAC name of 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine (CID 107443588) is 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine.
What is the SMILES notation for 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine?
The canonical SMILES for 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine is COCCC(C)C(F)C(CN)C(C)C.
What is the InChIKey of 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine?
The InChIKey is SWWHSIBXNSZCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-8(2)10(7-13)11(12)9(3)5-6-14-4/h8-11H,5-7,13H2,1-4H3.
What are the key properties of 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine?
3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methoxy-4-methyl-2-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107443588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).