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

C17H25ClFN — CID 64998212

IUPACN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)(c2c(F)cccc2Cl)C1
InChIInChI=1S/C17H25ClFN/c1-4-13-8-17(9-13,11-20-10-12(2)3)16-14(18)6-5-7-15(16)19/h5-7,12-13,20H,4,8-11H2,1-3H3
InChIKeyYNPHXXUISULYIJ-UHFFFAOYSA-N
MW297.85 g/mol
LogP4.78
Rot. Bonds6

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

N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine (PubChem CID 64998212) has the molecular formula C17H25ClFN and a molecular weight of 297.85 g/mol. Its IUPAC name is N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
PubChem CID64998212
Molecular FormulaC17H25ClFN
Molecular Weight297.85 g/mol
Exact Mass297.17
IUPAC NameN-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CC(CNCC(C)C)(c2c(F)cccc2Cl)C1
InChIInChI=1S/C17H25ClFN/c1-4-13-8-17(9-13,11-20-10-12(2)3)16-14(18)6-5-7-15(16)19/h5-7,12-13,20H,4,8-11H2,1-3H3
InChIKeyYNPHXXUISULYIJ-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(2-chloro-6-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013581
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]propan-1-amine
CID 64998005
N-[[1-(2-chlorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 64998152
N-[[1-(3-chloro-2-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 82791443
N-[[1-(2,6-dichlorophenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997625
N-[[1-(2-chloro-4-fluorophenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010796
N-[[1-(2-chloro-6-fluorophenyl)-3,3-diethylcyclobutyl]methyl]ethanamine
CID 65004069
N-[[5-(2-chloro-6-fluorophenyl)spiro[2.3]hexan-5-yl]methyl]propan-1-amine
CID 65008933
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-(2-chloro-6-fluorophenyl)-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 63517002
N-[[1-(2,6-dichlorophenyl)-2-methylcyclopentyl]methyl]-2-methylpropan-1-amine
CID 79679814

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine (CID 64998212) is N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine is CCC1CC(CNCC(C)C)(c2c(F)cccc2Cl)C1.
What is the InChIKey of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YNPHXXUISULYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClFN/c1-4-13-8-17(9-13,11-20-10-12(2)3)16-14(18)6-5-7-15(16)19/h5-7,12-13,20H,4,8-11H2,1-3H3.
What are the key properties of N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-chloro-6-fluorophenyl)-3-ethylcyclobutyl]methyl]-2-methylpropan-1-amine has a molecular weight of 297.85 g/mol, XLogP of 4.78, 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]-2-methylpropan-1-amine is sourced from PubChem (CID 64998212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).