3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine

C17H23F2N — CID 64623377

IUPAC3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
SMILESFc1cc(F)cc(CCNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H23F2N/c18-15-8-12(9-16(19)11-15)6-7-20-17-3-1-2-14(10-17)13-4-5-13/h8-9,11,13-14,17,20H,1-7,10H2
InChIKeyNXLACCRSMMFAPB-UHFFFAOYSA-N
MW279.37 g/mol
LogP4.07
Rot. Bonds5

About 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine

3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine (PubChem CID 64623377) has the molecular formula C17H23F2N and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
PubChem CID64623377
Molecular FormulaC17H23F2N
Molecular Weight279.37 g/mol
Exact Mass279.18
IUPAC Name3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine
SMILESFc1cc(F)cc(CCNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C17H23F2N/c18-15-8-12(9-16(19)11-15)6-7-20-17-3-1-2-14(10-17)13-4-5-13/h8-9,11,13-14,17,20H,1-7,10H2
InChIKeyNXLACCRSMMFAPB-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine (CID 64623377) is 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine is Fc1cc(F)cc(CCNC2CCCC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine?
The InChIKey is NXLACCRSMMFAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N/c18-15-8-12(9-16(19)11-15)6-7-20-17-3-1-2-14(10-17)13-4-5-13/h8-9,11,13-14,17,20H,1-7,10H2.
What are the key properties of 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine?
3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(3,5-difluorophenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64623377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).