2-(2,3-difluorophenoxy)-N-propylpentan-3-amine

C14H21F2NO — CID 63038153

IUPAC2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Oc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-4-9-17-12(5-2)10(3)18-13-8-6-7-11(15)14(13)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeyGBGUVRUCEGPJSL-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.51
Rot. Bonds7

About 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine

2-(2,3-difluorophenoxy)-N-propylpentan-3-amine (PubChem CID 63038153) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
PubChem CID63038153
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Oc1cccc(F)c1F
InChIInChI=1S/C14H21F2NO/c1-4-9-17-12(5-2)10(3)18-13-8-6-7-11(15)14(13)16/h6-8,10,12,17H,4-5,9H2,1-3H3
InChIKeyGBGUVRUCEGPJSL-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-3-amine
CID 63500724
N-[2-(2,3-difluorophenoxy)propyl]butan-1-amine
CID 55142850
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine
CID 81269441
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine?
The IUPAC name of 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine (CID 63038153) is 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine is CCCNC(CC)C(C)Oc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine?
The InChIKey is GBGUVRUCEGPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-9-17-12(5-2)10(3)18-13-8-6-7-11(15)14(13)16/h6-8,10,12,17H,4-5,9H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine?
2-(2,3-difluorophenoxy)-N-propylpentan-3-amine has a molecular weight of 257.32 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenoxy)-N-propylpentan-3-amine is sourced from PubChem (CID 63038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).