1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

C15H20FN — CID 115851821

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)C1CC2CC2C1
InChIInChI=1S/C15H20FN/c1-9-3-4-13(16)8-14(9)15(17-2)12-6-10-5-11(10)7-12/h3-4,8,10-12,15,17H,5-7H2,1-2H3
InChIKeySHTWHLSESJAFFP-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.44
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine

1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (PubChem CID 115851821) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
PubChem CID115851821
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)ccc1C)C1CC2CC2C1
InChIInChI=1S/C15H20FN/c1-9-3-4-13(16)8-14(9)15(17-2)12-6-10-5-11(10)7-12/h3-4,8,10-12,15,17H,5-7H2,1-2H3
InChIKeySHTWHLSESJAFFP-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935282
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 113383522
[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105302141
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 64984059
1-(2,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 64731316
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105397031
N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
[(5-fluoro-2-methylphenyl)-(oxan-4-yl)methyl]hydrazine
CID 105211548
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
1-(4,4-difluorocyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142852
N-[(3-ethylcyclopentyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 65411816
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine (CID 115851821) is 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is CNC(c1cc(F)ccc1C)C1CC2CC2C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
The InChIKey is SHTWHLSESJAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-9-3-4-13(16)8-14(9)15(17-2)12-6-10-5-11(10)7-12/h3-4,8,10-12,15,17H,5-7H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine has a molecular weight of 233.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115851821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).