1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine

C13H17ClFN — CID 115879137

IUPAC1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1CC1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN/c1-8-5-11(8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-4,6,8-9,11,16H,5,7H2,1-2H3
InChIKeyARLNOYLRYWAOIC-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.79
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine

1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 115879137) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
PubChem CID115879137
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCC(NCC1CC1C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H17ClFN/c1-8-5-11(8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-4,6,8-9,11,16H,5,7H2,1-2H3
InChIKeyARLNOYLRYWAOIC-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine with MolForge

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Related Compounds

N-[[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methyl]-1-(4-chloro-3-fluorophenyl)ethanamine
CID 155954262
1-(4-chloro-3-fluorophenyl)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]ethanamine
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1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
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N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
N-[1-(4-chloro-3-fluorophenyl)ethyl]decan-1-amine
CID 83059630
N-[1-(4-chloro-3-fluorophenyl)ethyl]but-3-en-1-amine
CID 115901843
1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
1-[1-(4-chloro-3-fluorophenyl)ethylamino]-2,4-dimethylpentan-2-ol
CID 83070022
3-[[1-(4-chloro-3-fluorophenyl)ethylamino]methyl]-2-methyloxolan-3-ol
CID 107270576
5-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 103914694

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine (CID 115879137) is 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine is CC(NCC1CC1C)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is ARLNOYLRYWAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-8-5-11(8)7-16-9(2)10-3-4-12(14)13(15)6-10/h3-4,6,8-9,11,16H,5,7H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115879137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).