5-(2-ethoxy-5-fluorophenyl)heptan-2-amine

C15H24FNO — CID 83944051

IUPAC5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
SMILESCCOc1ccc(F)cc1C(CC)CCC(C)N
InChIInChI=1S/C15H24FNO/c1-4-12(7-6-11(3)17)14-10-13(16)8-9-15(14)18-5-2/h8-12H,4-7,17H2,1-3H3
InChIKeyQNRCMDWDRWPNRV-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.85
Rot. Bonds7

About 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine

5-(2-ethoxy-5-fluorophenyl)heptan-2-amine (PubChem CID 83944051) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
PubChem CID83944051
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
SMILESCCOc1ccc(F)cc1C(CC)CCC(C)N
InChIInChI=1S/C15H24FNO/c1-4-12(7-6-11(3)17)14-10-13(16)8-9-15(14)18-5-2/h8-12H,4-7,17H2,1-3H3
InChIKeyQNRCMDWDRWPNRV-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
5-(2,3,4-triethoxyphenyl)heptan-2-amine
CID 83934242
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
(2S)-1-[4-fluoro-2-[(2R)-1,1,1-trifluoropropan-2-yl]phenoxy]propan-2-amine
CID 129387984
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
2-(2-ethoxy-5-fluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83974769
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine?
The IUPAC name of 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine (CID 83944051) is 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine.
What is the SMILES notation for 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine?
The canonical SMILES for 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine is CCOc1ccc(F)cc1C(CC)CCC(C)N.
What is the InChIKey of 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine?
The InChIKey is QNRCMDWDRWPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-12(7-6-11(3)17)14-10-13(16)8-9-15(14)18-5-2/h8-12H,4-7,17H2,1-3H3.
What are the key properties of 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine?
5-(2-ethoxy-5-fluorophenyl)heptan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-5-fluorophenyl)heptan-2-amine is sourced from PubChem (CID 83944051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).