1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine

C16H23F2N — CID 82828592

IUPAC1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(F)ccc(C)c1F
InChIInChI=1S/C16H23F2N/c1-11-8-9-14(17)15(16(11)18)13-7-5-3-4-6-12(13)10-19-2/h8-9,12-13,19H,3-7,10H2,1-2H3
InChIKeyJZXCDNVPQMFGOF-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.16
Rot. Bonds3

About 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine

1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine (PubChem CID 82828592) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
PubChem CID82828592
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(F)ccc(C)c1F
InChIInChI=1S/C16H23F2N/c1-11-8-9-14(17)15(16(11)18)13-7-5-3-4-6-12(13)10-19-2/h8-9,12-13,19H,3-7,10H2,1-2H3
InChIKeyJZXCDNVPQMFGOF-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine (CID 82828592) is 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1c(F)ccc(C)c1F.
What is the InChIKey of 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine?
The InChIKey is JZXCDNVPQMFGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11-8-9-14(17)15(16(11)18)13-7-5-3-4-6-12(13)10-19-2/h8-9,12-13,19H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine?
1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine has a molecular weight of 267.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-difluoro-3-methylphenyl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 82828592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).