3-fluoro-6-methoxy-4-methylhexan-1-amine

C8H18FNO — CID 116500635

IUPAC3-fluoro-6-methoxy-4-methylhexan-1-amine
SMILESCOCCC(C)C(F)CCN
InChIInChI=1S/C8H18FNO/c1-7(4-6-11-2)8(9)3-5-10/h7-8H,3-6,10H2,1-2H3
InChIKeyNCYZPBFHOUJKSA-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.35
Rot. Bonds6

About 3-fluoro-6-methoxy-4-methylhexan-1-amine

3-fluoro-6-methoxy-4-methylhexan-1-amine (PubChem CID 116500635) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-fluoro-6-methoxy-4-methylhexan-1-amine.

Molecular Properties

Compound Name3-fluoro-6-methoxy-4-methylhexan-1-amine
PubChem CID116500635
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name3-fluoro-6-methoxy-4-methylhexan-1-amine
SMILESCOCCC(C)C(F)CCN
InChIInChI=1S/C8H18FNO/c1-7(4-6-11-2)8(9)3-5-10/h7-8H,3-6,10H2,1-2H3
InChIKeyNCYZPBFHOUJKSA-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61491064
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CID 61491286
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CID 62505373
CID 62505373
CID 62505560
CID 62505560
CID 62505704
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CID 62505737
CID 62505737

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methoxy-4-methylhexan-1-amine?
The IUPAC name of 3-fluoro-6-methoxy-4-methylhexan-1-amine (CID 116500635) is 3-fluoro-6-methoxy-4-methylhexan-1-amine.
What is the SMILES notation for 3-fluoro-6-methoxy-4-methylhexan-1-amine?
The canonical SMILES for 3-fluoro-6-methoxy-4-methylhexan-1-amine is COCCC(C)C(F)CCN.
What is the InChIKey of 3-fluoro-6-methoxy-4-methylhexan-1-amine?
The InChIKey is NCYZPBFHOUJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-7(4-6-11-2)8(9)3-5-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 3-fluoro-6-methoxy-4-methylhexan-1-amine?
3-fluoro-6-methoxy-4-methylhexan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.35, 6 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-methylhexan-1-amine is sourced from PubChem (CID 116500635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).