3-(3-fluorophenoxy)-N-propylheptan-4-amine

C16H26FNO — CID 63475966

IUPAC3-(3-fluorophenoxy)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Oc1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-4-8-15(18-11-5-2)16(6-3)19-14-10-7-9-13(17)12-14/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3
InChIKeyVPFXDPFLYFFTIF-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.15
Rot. Bonds9

About 3-(3-fluorophenoxy)-N-propylheptan-4-amine

3-(3-fluorophenoxy)-N-propylheptan-4-amine (PubChem CID 63475966) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-propylheptan-4-amine
PubChem CID63475966
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-(3-fluorophenoxy)-N-propylheptan-4-amine
SMILESCCCNC(CCC)C(CC)Oc1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-4-8-15(18-11-5-2)16(6-3)19-14-10-7-9-13(17)12-14/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3
InChIKeyVPFXDPFLYFFTIF-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-naphthalen-2-yloxyheptan-4-amine
CID 63475073
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
N-[2-(3-fluorophenoxy)pentyl]cyclopropanamine
CID 83043805
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
4-(3-fluorophenoxy)pentanehydrazide
CID 63575496
1-(3-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 66071041

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-propylheptan-4-amine?
The IUPAC name of 3-(3-fluorophenoxy)-N-propylheptan-4-amine (CID 63475966) is 3-(3-fluorophenoxy)-N-propylheptan-4-amine.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-propylheptan-4-amine?
The canonical SMILES for 3-(3-fluorophenoxy)-N-propylheptan-4-amine is CCCNC(CCC)C(CC)Oc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-propylheptan-4-amine?
The InChIKey is VPFXDPFLYFFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-8-15(18-11-5-2)16(6-3)19-14-10-7-9-13(17)12-14/h7,9-10,12,15-16,18H,4-6,8,11H2,1-3H3.
What are the key properties of 3-(3-fluorophenoxy)-N-propylheptan-4-amine?
3-(3-fluorophenoxy)-N-propylheptan-4-amine has a molecular weight of 267.39 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-propylheptan-4-amine is sourced from PubChem (CID 63475966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).