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

C13H17ClFN — CID 103040985

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

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

N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 103040985) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
PubChem CID103040985
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC NameN-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H17ClFN/c1-9(8-16-11-3-4-11)6-10-2-5-13(15)12(14)7-10/h2,5,7,9,11,16H,3-4,6,8H2,1H3
InChIKeyUSHVXWIWZSBLKU-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

[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
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(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
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(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9990808
7-chloro-6-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11264345
(S)-8-chloro-9-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 24773897
(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N-methylmethanamine
CID 53325042
4-(3-Chlorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride
CID 57404444
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CID 526656

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine (CID 103040985) is N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is USHVXWIWZSBLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-9(8-16-11-3-4-11)6-10-2-5-13(15)12(14)7-10/h2,5,7,9,11,16H,3-4,6,8H2,1H3.
What are the key properties of N-[3-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine?
N-[3-(3-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-(3-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 103040985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).