[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine

C19H21F2N — CID 68673528

IUPAC[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(-c3cc(F)cc(F)c3)cc2)CCCCC1
InChIInChI=1S/C19H21F2N/c20-17-10-15(11-18(21)12-17)14-4-6-16(7-5-14)19(13-22)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9,13,22H2
InChIKeyZQMRVZGOHLYXDA-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.79
Rot. Bonds3

About [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine

[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine (PubChem CID 68673528) has the molecular formula C19H21F2N and a molecular weight of 301.38 g/mol. Its IUPAC name is [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine
PubChem CID68673528
Molecular FormulaC19H21F2N
Molecular Weight301.38 g/mol
Exact Mass301.16
IUPAC Name[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2ccc(-c3cc(F)cc(F)c3)cc2)CCCCC1
InChIInChI=1S/C19H21F2N/c20-17-10-15(11-18(21)12-17)14-4-6-16(7-5-14)19(13-22)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9,13,22H2
InChIKeyZQMRVZGOHLYXDA-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine (CID 68673528) is [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine is NCC1(c2ccc(-c3cc(F)cc(F)c3)cc2)CCCCC1.
What is the InChIKey of [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine?
The InChIKey is ZQMRVZGOHLYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N/c20-17-10-15(11-18(21)12-17)14-4-6-16(7-5-14)19(13-22)8-2-1-3-9-19/h4-7,10-12H,1-3,8-9,13,22H2.
What are the key properties of [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine?
[1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine has a molecular weight of 301.38 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3,5-difluorophenyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 68673528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).