N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

C15H21ClFN — CID 63038452

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-4-8-15)12-6-5-11(17)9-13(12)16/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyUAIFWICIRPICJY-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.29
Rot. Bonds3

About N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 63038452) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID63038452
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(c2ccc(F)cc2Cl)CCC1
InChIInChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-4-8-15)12-6-5-11(17)9-13(12)16/h5-6,9,18H,4,7-8,10H2,1-3H3
InChIKeyUAIFWICIRPICJY-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chloro-4-fluorophenyl)-3,3-dimethylcyclobutyl]methyl]-2-methylpropan-2-amine
CID 64999293
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
[1-(2-chloro-4-fluorophenyl)cyclobutyl]methanol
CID 131026964
N-[[5-(2,4-difluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008669
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]propan-1-amine
CID 63037575
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
N-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 63036176
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091858
N-[[1-(2-chloro-4-fluorophenyl)-3,3-diethylcyclobutyl]methyl]propan-2-amine
CID 65001631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 63038452) is N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(c2ccc(F)cc2Cl)CCC1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UAIFWICIRPICJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-14(2,3)18-10-15(7-4-8-15)12-6-5-11(17)9-13(12)16/h5-6,9,18H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 269.79 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63038452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).