N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine

C16H23ClFN — CID 64998005

IUPACN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2c(F)cccc2Cl)CC(CC)C1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-11-16(9-12(4-2)10-16)15-13(17)6-5-7-14(15)18/h5-7,12,19H,3-4,8-11H2,1-2H3
InChIKeyUOBJIVJBFQVQOI-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.54
Rot. Bonds6

About N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine

N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine (PubChem CID 64998005) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
PubChem CID64998005
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC NameN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2c(F)cccc2Cl)CC(CC)C1
InChIInChI=1S/C16H23ClFN/c1-3-8-19-11-16(9-12(4-2)10-16)15-13(17)6-5-7-14(15)18/h5-7,12,19H,3-4,8-11H2,1-2H3
InChIKeyUOBJIVJBFQVQOI-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998212
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997625
N-[[1-(2-chlorophenyl)-3-propylcyclobutyl]methyl]propan-1-amine
CID 65013812
N-[[5-(2,6-dichlorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008495
N-[[3-ethyl-1-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 64999540
N-[[1-(2-chloro-6-fluorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
CID 65004069
N-[[1-(3-chloro-2-fluorophenyl)-3-propan-2-ylcyclobutyl]methyl]propan-1-amine
CID 82806103
N-[[1-(3,4-dimethylphenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64999693
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methoxyethanamine
CID 65008181

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine (CID 64998005) is N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2c(F)cccc2Cl)CC(CC)C1.
What is the InChIKey of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
The InChIKey is UOBJIVJBFQVQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-3-8-19-11-16(9-12(4-2)10-16)15-13(17)6-5-7-14(15)18/h5-7,12,19H,3-4,8-11H2,1-2H3.
What are the key properties of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine?
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine has a molecular weight of 283.82 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 64998005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).