1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine

C16H26FNO — CID 66233120

IUPAC1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-5-14(18)15(19-11-10-16(2,3)4)12-8-6-7-9-13(12)17/h6-9,14-15H,5,10-11,18H2,1-4H3
InChIKeyAZKYFNWMMSTCMJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.06
Rot. Bonds6

About 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine

1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine (PubChem CID 66233120) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
PubChem CID66233120
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine
SMILESCCC(N)C(OCCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H26FNO/c1-5-14(18)15(19-11-10-16(2,3)4)12-8-6-7-9-13(12)17/h6-9,14-15H,5,10-11,18H2,1-4H3
InChIKeyAZKYFNWMMSTCMJ-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclobutylethoxy)-1-(2-fluorophenyl)butan-2-amine
CID 106200053
1-(2-fluorophenyl)-1-[(2-fluorophenyl)methoxy]butan-2-amine
CID 63934055
1-(2-chlorophenyl)-1-(3-methoxy-3-methylbutoxy)butan-2-amine
CID 106664975
1-cyclopentyloxy-1-(2-fluorophenyl)butan-2-amine
CID 55018597
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118
1-(2-fluorophenyl)-1-octan-2-yloxybutan-2-amine
CID 63459546
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2-ethylbutoxy)-1-(2-fluorophenyl)propan-2-amine
CID 114208275
1-(2-fluorophenyl)propan-1-amine
CID 18439474
1-(2-fluorophenyl)-1-(4-methylpentoxy)propan-2-amine
CID 55018505
1-(4-bromo-3-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 83135800
1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55022406

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine?
The IUPAC name of 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine (CID 66233120) is 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine is CCC(N)C(OCCC(C)(C)C)c1ccccc1F.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine?
The InChIKey is AZKYFNWMMSTCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-14(18)15(19-11-10-16(2,3)4)12-8-6-7-9-13(12)17/h6-9,14-15H,5,10-11,18H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine?
1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-1-(2-fluorophenyl)butan-2-amine is sourced from PubChem (CID 66233120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).