3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine

C17H25F2NO — CID 43101148

IUPAC3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2NO/c1-13(16-9-8-14(18)12-17(16)19)20-10-5-11-21-15-6-3-2-4-7-15/h8-9,12-13,15,20H,2-7,10-11H2,1H3
InChIKeyNNGYRCKWRVJREF-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.35
Rot. Bonds7

About 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine

3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine (PubChem CID 43101148) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine
PubChem CID43101148
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine
SMILESCC(NCCCOC1CCCCC1)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2NO/c1-13(16-9-8-14(18)12-17(16)19)20-10-5-11-21-15-6-3-2-4-7-15/h8-9,12-13,15,20H,2-7,10-11H2,1H3
InChIKeyNNGYRCKWRVJREF-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine (CID 43101148) is 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine is CC(NCCCOC1CCCCC1)c1ccc(F)cc1F.
What is the InChIKey of 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine?
The InChIKey is NNGYRCKWRVJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-13(16-9-8-14(18)12-17(16)19)20-10-5-11-21-15-6-3-2-4-7-15/h8-9,12-13,15,20H,2-7,10-11H2,1H3.
What are the key properties of 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine?
3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[1-(2,4-difluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43101148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).