1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine

C18H19F2N — CID 62788504

IUPAC1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine
SMILESNC1(c2cc(F)cc(F)c2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H19F2N/c19-16-10-15(11-17(20)12-16)18(21)8-6-14(7-9-18)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9,21H2
InChIKeyCXNWPOZRYHQMLD-UHFFFAOYSA-N
MW287.35 g/mol
LogP4.48
Rot. Bonds2

About 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine

1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine (PubChem CID 62788504) has the molecular formula C18H19F2N and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine
PubChem CID62788504
Molecular FormulaC18H19F2N
Molecular Weight287.35 g/mol
Exact Mass287.15
IUPAC Name1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine
SMILESNC1(c2cc(F)cc(F)c2)CCC(c2ccccc2)CC1
InChIInChI=1S/C18H19F2N/c19-16-10-15(11-17(20)12-16)18(21)8-6-14(7-9-18)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9,21H2
InChIKeyCXNWPOZRYHQMLD-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine (CID 62788504) is 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine is NC1(c2cc(F)cc(F)c2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine?
The InChIKey is CXNWPOZRYHQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N/c19-16-10-15(11-17(20)12-16)18(21)8-6-14(7-9-18)13-4-2-1-3-5-13/h1-5,10-12,14H,6-9,21H2.
What are the key properties of 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine?
1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 62788504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).