1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine

C12H15ClFN — CID 81045986

IUPAC1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1Cl)C1CC1
InChIInChI=1S/C12H15ClFN/c1-7-5-9(10(13)6-11(7)14)12(15-2)8-3-4-8/h5-6,8,12,15H,3-4H2,1-2H3
InChIKeyXZILBYHJEUHODX-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine

1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine (PubChem CID 81045986) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
PubChem CID81045986
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
SMILESCNC(c1cc(C)c(F)cc1Cl)C1CC1
InChIInChI=1S/C12H15ClFN/c1-7-5-9(10(13)6-11(7)14)12(15-2)8-3-4-8/h5-6,8,12,15H,3-4H2,1-2H3
InChIKeyXZILBYHJEUHODX-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclobutyl-N-methylmethanamine
CID 81045832
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 107476202
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(5-methyloxolan-3-yl)methanamine
CID 114825347
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81045363
N-[(2-chloro-4-fluoro-5-methylphenyl)-cyclopentylmethyl]propan-1-amine
CID 81045069
1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 107476284
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836
1-(2,5-dichlorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424192
1-(5-chloro-2-fluorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 114886204
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine (CID 81045986) is 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine is CNC(c1cc(C)c(F)cc1Cl)C1CC1.
What is the InChIKey of 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
The InChIKey is XZILBYHJEUHODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-7-5-9(10(13)6-11(7)14)12(15-2)8-3-4-8/h5-6,8,12,15H,3-4H2,1-2H3.
What are the key properties of 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine?
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine is sourced from PubChem (CID 81045986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).