N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine

C14H19F2NO — CID 63906071

IUPACN-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-2-7-17-13(10-3-4-10)9-18-14-8-11(15)5-6-12(14)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyXNYXSTHLJCEWKV-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.12
Rot. Bonds7

About N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine

N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine (PubChem CID 63906071) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
PubChem CID63906071
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
SMILESCCCNC(COc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-2-7-17-13(10-3-4-10)9-18-14-8-11(15)5-6-12(14)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyXNYXSTHLJCEWKV-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclohexyl-2-(2,4-difluorophenoxy)ethyl]propan-1-amine
CID 104748323
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
N-[2-(5-chloro-2-methylphenoxy)-1-cyclohexylethyl]propan-1-amine
CID 104749569
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
N-(dicyclopropylmethyl)-2-(2,5-difluorophenoxy)ethanamine
CID 63273198
N-[2-(2,4-difluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63415659

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine (CID 63906071) is N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine is CCCNC(COc1cc(F)ccc1F)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine?
The InChIKey is XNYXSTHLJCEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-7-17-13(10-3-4-10)9-18-14-8-11(15)5-6-12(14)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine?
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine has a molecular weight of 255.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 63906071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).