N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine

C12H15ClFN — CID 114842672

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFN/c1-8-4-10(8)7-15-6-9-2-3-11(13)5-12(9)14/h2-3,5,8,10,15H,4,6-7H2,1H3
InChIKeyMYJCCOYVLSQBGI-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.22
Rot. Bonds4

About N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 114842672) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID114842672
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCC1CC1CNCc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFN/c1-8-4-10(8)7-15-6-9-2-3-11(13)5-12(9)14/h2-3,5,8,10,15H,4,6-7H2,1H3
InChIKeyMYJCCOYVLSQBGI-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-N'-hydroxy-4-[[(2-methylcyclopropyl)methylamino]methyl]benzenecarboximidamide
CID 113463881
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114842025
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 106263727
1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 114841440
N-[(4-chloro-2-fluorophenyl)methyl]-2-iodoethanamine
CID 114859443
2-fluoro-5-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 107880435
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 114842672) is N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine is CC1CC1CNCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is MYJCCOYVLSQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-4-10(8)7-15-6-9-2-3-11(13)5-12(9)14/h2-3,5,8,10,15H,4,6-7H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 227.71 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 114842672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).