1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine

C13H18FN — CID 79704372

IUPAC1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CC1C
InChIInChI=1S/C13H18FN/c1-8-4-10(7-11(14)5-8)13(15-3)12-6-9(12)2/h4-5,7,9,12-13,15H,6H2,1-3H3
InChIKeyRVENXCLDKXNPPB-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.05
Rot. Bonds3

About 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine (PubChem CID 79704372) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
PubChem CID79704372
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine
SMILESCNC(c1cc(C)cc(F)c1)C1CC1C
InChIInChI=1S/C13H18FN/c1-8-4-10(7-11(14)5-8)13(15-3)12-6-9(12)2/h4-5,7,9,12-13,15H,6H2,1-3H3
InChIKeyRVENXCLDKXNPPB-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 79705419
N-methyl-1-(2-methylcyclopropyl)-1-(3-methylphenyl)methanamine
CID 65422773
1-cyclobutyl-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79705578
N-methyl-1-(2-methylcyclopropyl)-1-(4-methylphenyl)methanamine
CID 43481824
1-(6-bicyclo[3.1.0]hexanyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105016349
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 79703603
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
[(3-fluoro-5-methylphenyl)-(2-methylcyclopentyl)methyl]hydrazine
CID 107194457
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79974913
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine (CID 79704372) is 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine is CNC(c1cc(C)cc(F)c1)C1CC1C.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
The InChIKey is RVENXCLDKXNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-8-4-10(7-11(14)5-8)13(15-3)12-6-9(12)2/h4-5,7,9,12-13,15H,6H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine?
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine has a molecular weight of 207.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-N-methyl-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 79704372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).