1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

C13H18FN — CID 106877639

IUPAC1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1CC1
InChIInChI=1S/C13H18FN/c1-8-6-11(14)7-9(2)12(8)13(15-3)10-4-5-10/h6-7,10,13,15H,4-5H2,1-3H3
InChIKeyWTGXCOXLDUERTN-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.11
Rot. Bonds3

About 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine

1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 106877639) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
PubChem CID106877639
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(F)cc1C)C1CC1
InChIInChI=1S/C13H18FN/c1-8-6-11(14)7-9(2)12(8)13(15-3)10-4-5-10/h6-7,10,13,15H,4-5H2,1-3H3
InChIKeyWTGXCOXLDUERTN-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877960
1-cyclobutyl-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484275
4-[methylamino-(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 116957010
N-[cyclobutyl-(4-fluoro-2,6-dimethylphenyl)methyl]propan-1-amine
CID 106878892
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877772
1-cyclobutyl-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 64986686
1-cyclopropyl-1-(3,5-difluorophenyl)-N-methylmethanamine;2-methylpropane-2-thiol
CID 170619298
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine (CID 106877639) is 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is CNC(c1c(C)cc(F)cc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is WTGXCOXLDUERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-6-11(14)7-9(2)12(8)13(15-3)10-4-5-10/h6-7,10,13,15H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine?
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106877639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).