2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine

C11H24FNO — CID 116500629

IUPAC2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
SMILESCOCCC(C)C(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO/c1-9(6-7-14-5)11(12,8-13)10(2,3)4/h9H,6-8,13H2,1-5H3
InChIKeyLIRSBADBDHKFDJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP2.37
Rot. Bonds5

About 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine

2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine (PubChem CID 116500629) has the molecular formula C11H24FNO and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
PubChem CID116500629
Molecular FormulaC11H24FNO
Molecular Weight205.32 g/mol
Exact Mass205.18
IUPAC Name2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine
SMILESCOCCC(C)C(F)(CN)C(C)(C)C
InChIInChI=1S/C11H24FNO/c1-9(6-7-14-5)11(12,8-13)10(2,3)4/h9H,6-8,13H2,1-5H3
InChIKeyLIRSBADBDHKFDJ-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505737
2,2-Diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723900
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724916
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
2-Tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139778
2-Cyclopropyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83148355
2-Methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83159639
4-Fluoro-4-(methoxymethyl)-7-methyloctan-1-amine
CID 103392394
4-Fluoro-6-methoxy-4-(methoxymethyl)-5-methylhexan-1-amine
CID 103392424
4-Fluoro-4-(methoxymethyl)-7,7-dimethyloctan-1-amine
CID 103392447
4-Fluoro-4-(methoxymethyl)-5,5-dimethylhexan-1-amine
CID 103392559
4-Fluoro-4-(methoxymethyl)-5-methylheptan-1-amine
CID 103392585

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The IUPAC name of 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine (CID 116500629) is 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine.
What is the SMILES notation for 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The canonical SMILES for 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine is COCCC(C)C(F)(CN)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
The InChIKey is LIRSBADBDHKFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24FNO/c1-9(6-7-14-5)11(12,8-13)10(2,3)4/h9H,6-8,13H2,1-5H3.
What are the key properties of 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine?
2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-fluoro-5-methoxy-3-methylpentan-1-amine is sourced from PubChem (CID 116500629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).