1-(3-fluorophenyl)-1-octoxypropan-2-amine

C17H28FNO — CID 63459739

IUPAC1-(3-fluorophenyl)-1-octoxypropan-2-amine
SMILESCCCCCCCCOC(c1cccc(F)c1)C(C)N
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-12-20-17(14(2)19)15-10-9-11-16(18)13-15/h9-11,13-14,17H,3-8,12,19H2,1-2H3
InChIKeyZDWMUCTVEFSZAH-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.59
Rot. Bonds10

About 1-(3-fluorophenyl)-1-octoxypropan-2-amine

1-(3-fluorophenyl)-1-octoxypropan-2-amine (PubChem CID 63459739) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-octoxypropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-octoxypropan-2-amine
PubChem CID63459739
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name1-(3-fluorophenyl)-1-octoxypropan-2-amine
SMILESCCCCCCCCOC(c1cccc(F)c1)C(C)N
InChIInChI=1S/C17H28FNO/c1-3-4-5-6-7-8-12-20-17(14(2)19)15-10-9-11-16(18)13-15/h9-11,13-14,17H,3-8,12,19H2,1-2H3
InChIKeyZDWMUCTVEFSZAH-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
1-(3-fluorophenyl)-1-[3-(2-methoxyethoxy)propoxy]propan-2-amine
CID 103401330
1-(3-fluorophenyl)-2-heptoxyethanamine
CID 45282775
1-(4-bromophenyl)-1-heptoxypropan-2-amine
CID 63460089
1-hexoxy-1-(4-methoxyphenyl)propan-2-amine
CID 55016012
1-(3-fluorophenyl)-1-(3-methylbutoxy)butan-2-amine
CID 55020209
1-(3-fluorophenyl)-1-(2-propoxyethoxy)butan-2-amine
CID 63686342
1-(3-bromophenyl)-1-octoxybutan-2-amine
CID 63459741
1-(cyclohexylmethoxy)-1-(3-fluorophenyl)propan-2-amine
CID 62382003
N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-octoxypropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-1-octoxypropan-2-amine (CID 63459739) is 1-(3-fluorophenyl)-1-octoxypropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-octoxypropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-1-octoxypropan-2-amine is CCCCCCCCOC(c1cccc(F)c1)C(C)N.
What is the InChIKey of 1-(3-fluorophenyl)-1-octoxypropan-2-amine?
The InChIKey is ZDWMUCTVEFSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-3-4-5-6-7-8-12-20-17(14(2)19)15-10-9-11-16(18)13-15/h9-11,13-14,17H,3-8,12,19H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-octoxypropan-2-amine?
1-(3-fluorophenyl)-1-octoxypropan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-octoxypropan-2-amine is sourced from PubChem (CID 63459739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).