N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine

C11H13ClFN — CID 112652013

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFN/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6H2,1H3
InChIKeySABNGYCFIDKBSN-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.98
Rot. Bonds3

About N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine

N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 112652013) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID112652013
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCC1CC1NCc1cccc(F)c1Cl
InChIInChI=1S/C11H13ClFN/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6H2,1H3
InChIKeySABNGYCFIDKBSN-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-fluoro-3-[[(2-methylcyclopropyl)amino]methyl]aniline
CID 130600344
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112651957
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanone
CID 112653355
2-(2-chloro-3-fluorophenyl)-1-(2-methylcyclopropyl)ethanol
CID 112653482
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
2-[(2-chloro-3-fluorophenyl)methyl]-1,1-dimethylhydrazine
CID 112652223
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213
trans-(1R,2R)-N-[(2,3-dichloro-4-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 130964805
N-[(2-chloro-3-fluorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 112651913

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine (CID 112652013) is N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine is CC1CC1NCc1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is SABNGYCFIDKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-5-10(7)14-6-8-3-2-4-9(13)11(8)12/h2-4,7,10,14H,5-6H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 112652013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).