5-(5-fluoro-2-propoxyphenyl)heptan-2-amine

C16H26FNO — CID 83944184

IUPAC5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
SMILESCCCOc1ccc(F)cc1C(CC)CCC(C)N
InChIInChI=1S/C16H26FNO/c1-4-10-19-16-9-8-14(17)11-15(16)13(5-2)7-6-12(3)18/h8-9,11-13H,4-7,10,18H2,1-3H3
InChIKeyTWCVRUMNGCVALY-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.24
Rot. Bonds8

About 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine

5-(5-fluoro-2-propoxyphenyl)heptan-2-amine (PubChem CID 83944184) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
PubChem CID83944184
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
SMILESCCCOc1ccc(F)cc1C(CC)CCC(C)N
InChIInChI=1S/C16H26FNO/c1-4-10-19-16-9-8-14(17)11-15(16)13(5-2)7-6-12(3)18/h8-9,11-13H,4-7,10,18H2,1-3H3
InChIKeyTWCVRUMNGCVALY-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-ethoxy-5-fluorophenyl)heptan-2-amine
CID 83944051
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
CID 83944144
5-(5-chloro-4-methyl-2-propoxyphenyl)heptan-2-amine
CID 83937769
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
1-amino-4-(2-ethoxy-5-fluorophenyl)hexan-2-ol
CID 83944097
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
[(1R)-1-[2-[(3R)-3-aminobutoxy]-5-fluorophenyl]ethyl] carbamate
CID 175183675
5-(2,3,4-triethoxyphenyl)heptan-2-amine
CID 83934242
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine?
The IUPAC name of 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine (CID 83944184) is 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine.
What is the SMILES notation for 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine?
The canonical SMILES for 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine is CCCOc1ccc(F)cc1C(CC)CCC(C)N.
What is the InChIKey of 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine?
The InChIKey is TWCVRUMNGCVALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-10-19-16-9-8-14(17)11-15(16)13(5-2)7-6-12(3)18/h8-9,11-13H,4-7,10,18H2,1-3H3.
What are the key properties of 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine?
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propoxyphenyl)heptan-2-amine is sourced from PubChem (CID 83944184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).