1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine

C18H21F2N — CID 69305890

IUPAC1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(c2ccc3ccccc3c2)CCC(F)(F)CC1
InChIInChI=1S/C18H21F2N/c1-21-13-17(8-10-18(19,20)11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,21H,8-11,13H2,1H3
InChIKeySETUALOJENFURZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.51
Rot. Bonds3

About 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine

1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine (PubChem CID 69305890) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
PubChem CID69305890
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1(c2ccc3ccccc3c2)CCC(F)(F)CC1
InChIInChI=1S/C18H21F2N/c1-21-13-17(8-10-18(19,20)11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,21H,8-11,13H2,1H3
InChIKeySETUALOJENFURZ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine (CID 69305890) is 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine is CNCC1(c2ccc3ccccc3c2)CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is SETUALOJENFURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-21-13-17(8-10-18(19,20)11-9-17)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12,21H,8-11,13H2,1H3.
What are the key properties of 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine?
1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1-naphthalen-2-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 69305890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).