2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

C17H25F2NO — CID 63500205

IUPAC2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Oc1cccc(F)c1F
InChIInChI=1S/C17H25F2NO/c1-4-20-14-9-8-12(11(2)3)10-16(14)21-15-7-5-6-13(18)17(15)19/h5-7,11-12,14,16,20H,4,8-10H2,1-3H3
InChIKeyPHTHOKGRYPDCJV-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.15
Rot. Bonds5

About 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine

2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63500205) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63500205
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCNC1CCC(C(C)C)CC1Oc1cccc(F)c1F
InChIInChI=1S/C17H25F2NO/c1-4-20-14-9-8-12(11(2)3)10-16(14)21-15-7-5-6-13(18)17(15)19/h5-7,11-12,14,16,20H,4,8-10H2,1-3H3
InChIKeyPHTHOKGRYPDCJV-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine (CID 63500205) is 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine is CCNC1CCC(C(C)C)CC1Oc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PHTHOKGRYPDCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-4-20-14-9-8-12(11(2)3)10-16(14)21-15-7-5-6-13(18)17(15)19/h5-7,11-12,14,16,20H,4,8-10H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine?
2-(2,3-difluorophenoxy)-N-ethyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.15, 5 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-ethyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63500205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).