1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine

C15H24FNO — CID 55020209

IUPAC1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-14(17)15(18-9-8-11(2)3)12-6-5-7-13(16)10-12/h5-7,10-11,14-15H,4,8-9,17H2,1-3H3
InChIKeyVPZLFIYBPHJNAG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds7

About 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine

1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine (PubChem CID 55020209) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
PubChem CID55020209
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
SMILESCCC(N)C(OCCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-14(17)15(18-9-8-11(2)3)12-6-5-7-13(16)10-12/h5-7,10-11,14-15H,4,8-9,17H2,1-3H3
InChIKeyVPZLFIYBPHJNAG-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
1-(3-chlorophenyl)-1-(3-methylbutoxy)propan-2-amine
CID 55019946
1-(2-bromophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55022406
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3,4-dimethylcyclohexyl)oxy-1-(3-fluorophenyl)butan-2-amine
CID 64744328
1-(2-chloro-4-methylphenoxy)-1-(3-fluorophenyl)butan-2-amine
CID 62669549
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(3-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 115941853
1,1-bis(3-fluorophenyl)pentan-3-amine
CID 22708360

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine (CID 55020209) is 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine is CCC(N)C(OCCC(C)C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine?
The InChIKey is VPZLFIYBPHJNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-14(17)15(18-9-8-11(2)3)12-6-5-7-13(16)10-12/h5-7,10-11,14-15H,4,8-9,17H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine?
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine is sourced from PubChem (CID 55020209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).