6-(5-fluoro-2-propoxyphenyl)hexan-3-amine

C15H24FNO — CID 83944180

IUPAC6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
SMILESCCCOc1ccc(F)cc1CCCC(N)CC
InChIInChI=1S/C15H24FNO/c1-3-10-18-15-9-8-13(16)11-12(15)6-5-7-14(17)4-2/h8-9,11,14H,3-7,10,17H2,1-2H3
InChIKeyCMDOPPKDPXLFHT-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.67
Rot. Bonds8

About 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine

6-(5-fluoro-2-propoxyphenyl)hexan-3-amine (PubChem CID 83944180) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
PubChem CID83944180
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
SMILESCCCOc1ccc(F)cc1CCCC(N)CC
InChIInChI=1S/C15H24FNO/c1-3-10-18-15-9-8-13(16)11-12(15)6-5-7-14(17)4-2/h8-9,11,14H,3-7,10,17H2,1-2H3
InChIKeyCMDOPPKDPXLFHT-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
6-(2,5-dimethyl-4-propoxyphenyl)hexan-3-amine
CID 83940981
5-(5-fluoro-2-propoxyphenyl)pentane-2,3-diol
CID 83944238
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
5-[2-(2-aminobutyl)-4-fluorophenoxy]pentanenitrile
CID 107701603
1-(5-fluoro-2-pent-4-ynoxyphenyl)butan-2-amine
CID 107701484
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
1-[3-(5-fluoro-2-propoxyphenyl)propyl]piperazine
CID 83944159

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine?
The IUPAC name of 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine (CID 83944180) is 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine.
What is the SMILES notation for 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine?
The canonical SMILES for 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine is CCCOc1ccc(F)cc1CCCC(N)CC.
What is the InChIKey of 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine?
The InChIKey is CMDOPPKDPXLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-3-10-18-15-9-8-13(16)11-12(15)6-5-7-14(17)4-2/h8-9,11,14H,3-7,10,17H2,1-2H3.
What are the key properties of 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine?
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine has a molecular weight of 253.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-propoxyphenyl)hexan-3-amine is sourced from PubChem (CID 83944180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).