1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

C17H24FN — CID 106877960

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-10-8-12(18)9-11(2)15(10)17(19-3)16-13-6-4-5-7-14(13)16/h8-9,13-14,16-17,19H,4-7H2,1-3H3
InChIKeyGDVWWWQWUXUEJV-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.14
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106877960) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106877960
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1C2CCCCC21
InChIInChI=1S/C17H24FN/c1-10-8-12(18)9-11(2)15(10)17(19-3)16-13-6-4-5-7-14(13)16/h8-9,13-14,16-17,19H,4-7H2,1-3H3
InChIKeyGDVWWWQWUXUEJV-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
[7-bicyclo[4.1.0]heptanyl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302216
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377331
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877772
1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841400
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (CID 106877960) is 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is CNC(c1c(C)cc(F)cc1C)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GDVWWWQWUXUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-10-8-12(18)9-11(2)15(10)17(19-3)16-13-6-4-5-7-14(13)16/h8-9,13-14,16-17,19H,4-7H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 261.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106877960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).