N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

C13H17ClFN — CID 105395094

IUPACN-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)C1CC1C
InChIInChI=1S/C13H17ClFN/c1-3-16-13(10-6-8(10)2)11-7-9(15)4-5-12(11)14/h4-5,7-8,10,13,16H,3,6H2,1-2H3
InChIKeyVOODMPLFDZPGHF-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.79
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 105395094) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
PubChem CID105395094
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)C1CC1C
InChIInChI=1S/C13H17ClFN/c1-3-16-13(10-6-8(10)2)11-7-9(15)4-5-12(11)14/h4-5,7-8,10,13,16H,3,6H2,1-2H3
InChIKeyVOODMPLFDZPGHF-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

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Related Compounds

N-[(5-fluoro-2-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419979
[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105397863
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N-[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421716
N-[(5-fluoro-1-benzofuran-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 114729354
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554
N-[(3-chlorothiophen-2-yl)-(2-methylcyclopropyl)methyl]ethanamine
CID 80529262
N-[(2-chloro-5-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]ethanamine
CID 105395250
N-[(2-chloro-5-fluorophenyl)-(4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 105395058
[(5-fluoro-2-methoxyphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234968

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine (CID 105395094) is N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)C1CC1C.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is VOODMPLFDZPGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-3-16-13(10-6-8(10)2)11-7-9(15)4-5-12(11)14/h4-5,7-8,10,13,16H,3,6H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(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 N-[(2-chloro-5-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 105395094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).