N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine

C13H17ClFN — CID 62528488

IUPACN-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN/c1-9(8-16-12-4-5-12)6-10-2-3-11(15)7-13(10)14/h2-3,7,9,12,16H,4-6,8H2,1H3
InChIKeyZFNWNSPYYCTSKG-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.41
Rot. Bonds5

About N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine

N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 62528488) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
PubChem CID62528488
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C13H17ClFN/c1-9(8-16-12-4-5-12)6-10-2-3-11(15)7-13(10)14/h2-3,7,9,12,16H,4-6,8H2,1H3
InChIKeyZFNWNSPYYCTSKG-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-chloro-5-fluorophenyl)-2-methylbutyl]cyclopropanamine
CID 102620479
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528286
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015745
N-[(2-chloro-4-fluorophenyl)methyl]thian-4-amine
CID 115732355
1-(2-chloro-4-fluorophenyl)propan-2-amine
CID 62600100
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65425532
N-[3-(5-fluoro-3-pyridinyl)-2-methylpropyl]cyclopropanamine
CID 64666695
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
CID 114899173
2-chloro-1-[2-(1-chloroethyl)-3-methylbutyl]-4-fluorobenzene
CID 63472643
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine (CID 62528488) is N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is ZFNWNSPYYCTSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(8-16-12-4-5-12)6-10-2-3-11(15)7-13(10)14/h2-3,7,9,12,16H,4-6,8H2,1H3.
What are the key properties of N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 241.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62528488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).