3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine

C15H21ClFNO — CID 142585843

IUPAC3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine
SMILESCCC1(NC)CC(C)(COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-4-15(18-3)8-14(2,9-15)10-19-11-5-6-12(16)13(17)7-11/h5-7,18H,4,8-10H2,1-3H3
InChIKeyNZQKUXLUSLYOMT-UHFFFAOYSA-N
MW285.79 g/mol
LogP4.03
Rot. Bonds5

About 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine

3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine (PubChem CID 142585843) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine
PubChem CID142585843
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine
SMILESCCC1(NC)CC(C)(COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C15H21ClFNO/c1-4-15(18-3)8-14(2,9-15)10-19-11-5-6-12(16)13(17)7-11/h5-7,18H,4,8-10H2,1-3H3
InChIKeyNZQKUXLUSLYOMT-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-3-methylcyclobutyl]-2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]acetamide;formamide
CID 142585860
4-[[1-(bromomethyl)cyclopropyl]methoxy]-1-chloro-2-fluorobenzene
CID 82716872
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopropyl]methanethiol
CID 82719141
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclohexyl]methanethiol
CID 82719369
3-(4-chloro-3-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 82727591
[1-[(4-chloro-3-fluorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 82727324
1-[5-[(4-chloro-3-fluorophenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559178
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
N-[2-(4-chloro-3-fluorophenoxy)ethyl]butan-1-amine
CID 82727610
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine (CID 142585843) is 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine is CCC1(NC)CC(C)(COc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine?
The InChIKey is NZQKUXLUSLYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-4-15(18-3)8-14(2,9-15)10-19-11-5-6-12(16)13(17)7-11/h5-7,18H,4,8-10H2,1-3H3.
What are the key properties of 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine?
3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine has a molecular weight of 285.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-N,3-dimethylcyclobutan-1-amine is sourced from PubChem (CID 142585843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).