2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

C14H22FNO — CID 62454914

IUPAC2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1ccccc1F)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-16-11(3)4)17-13-8-6-5-7-12(13)15/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBXBFSIBLAIHMNT-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.23
Rot. Bonds6

About 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine

2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 62454914) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID62454914
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1ccccc1F)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-16-11(3)4)17-13-8-6-5-7-12(13)15/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyBXBFSIBLAIHMNT-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449645
N-ethyl-2-(2-fluorophenoxy)-3-methylbutan-1-amine
CID 62454913
2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63037166
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
1-(2-fluorophenoxy)ethanethiol
CID 166973393
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
N-[2-(2,4-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55077634
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62459363
N-[2-(2,5-difluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 55167175
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
1-fluoro-2-(4-methylpent-3-en-2-yloxy)benzene
CID 134448627

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine (CID 62454914) is 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Oc1ccccc1F)C(C)C.
What is the InChIKey of 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is BXBFSIBLAIHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)14(9-16-11(3)4)17-13-8-6-5-7-12(13)15/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine?
2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62454914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).