2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine

C10H22FNO — CID 112566443

IUPAC2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
SMILESCC(C)OCC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-8(2)13-7-10(11,6-12)9(3,4)5/h8H,6-7,12H2,1-5H3
InChIKeyFPWINWMLNJMYCF-UHFFFAOYSA-N
MW191.29 g/mol
LogP2.12
Rot. Bonds4

About 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine

2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine (PubChem CID 112566443) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
PubChem CID112566443
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine
SMILESCC(C)OCC(F)(CN)C(C)(C)C
InChIInChI=1S/C10H22FNO/c1-8(2)13-7-10(11,6-12)9(3,4)5/h8H,6-7,12H2,1-5H3
InChIKeyFPWINWMLNJMYCF-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
2-tert-butyl-2-fluoro-4-methylheptan-1-amine
CID 112566629
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
2-ethyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 65051183
3-fluoro-3-methyl-4-propan-2-yloxybutanoic acid
CID 105437453
8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
2-tert-butyl-2-fluoroheptan-1-amine
CID 112566451
2,2-difluoro-3-methylbutan-1-amine;hydrochloride
CID 105431378
2,2-difluoro-3-(4-methylpentan-2-yloxy)propan-1-amine
CID 165466400

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine?
The IUPAC name of 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine (CID 112566443) is 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine is CC(C)OCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine?
The InChIKey is FPWINWMLNJMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-8(2)13-7-10(11,6-12)9(3,4)5/h8H,6-7,12H2,1-5H3.
What are the key properties of 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine?
2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine has a molecular weight of 191.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-2-(propan-2-yloxymethyl)butan-1-amine is sourced from PubChem (CID 112566443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).