1-(3-fluorophenyl)-2-heptoxyethanamine

C15H24FNO — CID 45282775

IUPAC1-(3-fluorophenyl)-2-heptoxyethanamine
SMILESCCCCCCCOCC(N)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-10-18-12-15(17)13-8-7-9-14(16)11-13/h7-9,11,15H,2-6,10,12,17H2,1H3
InChIKeyJRDZNYUQVOKADF-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.81
Rot. Bonds9

About 1-(3-fluorophenyl)-2-heptoxyethanamine

1-(3-fluorophenyl)-2-heptoxyethanamine (PubChem CID 45282775) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-heptoxyethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-heptoxyethanamine
PubChem CID45282775
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(3-fluorophenyl)-2-heptoxyethanamine
SMILESCCCCCCCOCC(N)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-2-3-4-5-6-10-18-12-15(17)13-8-7-9-14(16)11-13/h7-9,11,15H,2-6,10,12,17H2,1H3
InChIKeyJRDZNYUQVOKADF-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.81
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

2-heptoxy-1-(3-methylphenyl)ethanamine
CID 61309696
2-pentoxy-1-phenylethanamine
CID 43275081
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
1-(3-fluorophenyl)-1-octoxypropan-2-amine
CID 63459739
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
2-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
fluorobenzene;1-hexoxyhexane
CID 174664464
1-(3-fluorophenyl)-2-(2,2,3,3,3-pentafluoropropoxy)ethanamine
CID 107523834
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-heptoxyethanamine?
The IUPAC name of 1-(3-fluorophenyl)-2-heptoxyethanamine (CID 45282775) is 1-(3-fluorophenyl)-2-heptoxyethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-heptoxyethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-heptoxyethanamine is CCCCCCCOCC(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-heptoxyethanamine?
The InChIKey is JRDZNYUQVOKADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-3-4-5-6-10-18-12-15(17)13-8-7-9-14(16)11-13/h7-9,11,15H,2-6,10,12,17H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-heptoxyethanamine?
1-(3-fluorophenyl)-2-heptoxyethanamine has a molecular weight of 253.36 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-heptoxyethanamine is sourced from PubChem (CID 45282775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).