N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine

C14H19ClFN — CID 114899173

IUPACN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c1-10(9-17-12-5-3-6-12)8-11-4-2-7-13(16)14(11)15/h2,4,7,10,12,17H,3,5-6,8-9H2,1H3
InChIKeyFAGDRVUUDVWEMR-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds5

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

N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine (PubChem CID 114899173) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine.

Molecular Properties

Compound NameN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
PubChem CID114899173
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC NameN-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine
SMILESCC(CNC1CCC1)Cc1cccc(F)c1Cl
InChIInChI=1S/C14H19ClFN/c1-10(9-17-12-5-3-6-12)8-11-4-2-7-13(16)14(11)15/h2,4,7,10,12,17H,3,5-6,8-9H2,1H3
InChIKeyFAGDRVUUDVWEMR-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[(2-chloro-3-fluorophenyl)methyl]cyclopentanamine
CID 81453825
N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
2-(2-chloro-3-fluorophenyl)-1-cyclobutyl-N-methylethanamine
CID 112653742
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-chloro-3-fluorophenyl)-1-cyclooctyl-N-ethylethanamine
CID 115983923
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
2-(2-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 112653098
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine?
The IUPAC name of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine (CID 114899173) is N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine.
What is the SMILES notation for N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine?
The canonical SMILES for N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine is CC(CNC1CCC1)Cc1cccc(F)c1Cl.
What is the InChIKey of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine?
The InChIKey is FAGDRVUUDVWEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(9-17-12-5-3-6-12)8-11-4-2-7-13(16)14(11)15/h2,4,7,10,12,17H,3,5-6,8-9H2,1H3.
What are the key properties of N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine?
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclobutanamine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 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-3-fluorophenyl)-2-methylpropyl]cyclobutanamine is sourced from PubChem (CID 114899173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).