1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine

C17H25F2N — CID 81031224

IUPAC1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1Cc1cc(F)ccc1F
InChIInChI=1S/C17H25F2N/c1-17(2)7-6-12(11-20-3)14(10-17)8-13-9-15(18)4-5-16(13)19/h4-5,9,12,14,20H,6-8,10-11H2,1-3H3
InChIKeyOUMSRKDZHJCRMI-UHFFFAOYSA-N
MW281.39 g/mol
LogP4.17
Rot. Bonds4

About 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine

1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine (PubChem CID 81031224) has the molecular formula C17H25F2N and a molecular weight of 281.39 g/mol. Its IUPAC name is 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
PubChem CID81031224
Molecular FormulaC17H25F2N
Molecular Weight281.39 g/mol
Exact Mass281.20
IUPAC Name1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1Cc1cc(F)ccc1F
InChIInChI=1S/C17H25F2N/c1-17(2)7-6-12(11-20-3)14(10-17)8-13-9-15(18)4-5-16(13)19/h4-5,9,12,14,20H,6-8,10-11H2,1-3H3
InChIKeyOUMSRKDZHJCRMI-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine (CID 81031224) is 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)(C)CC1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
The InChIKey is OUMSRKDZHJCRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N/c1-17(2)7-6-12(11-20-3)14(10-17)8-13-9-15(18)4-5-16(13)19/h4-5,9,12,14,20H,6-8,10-11H2,1-3H3.
What are the key properties of 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine?
1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine has a molecular weight of 281.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-difluorophenyl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).