1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C16H25FN2O — CID 105415550

IUPAC1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NCC2(N(C)C)CCC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-12(13-6-7-15(20-4)14(17)10-13)18-11-16(19(2)3)8-5-9-16/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyFYWMATGCWZEJOZ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.97
Rot. Bonds6

About 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105415550) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105415550
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCOc1ccc(C(C)NCC2(N(C)C)CCC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-12(13-6-7-15(20-4)14(17)10-13)18-11-16(19(2)3)8-5-9-16/h6-7,10,12,18H,5,8-9,11H2,1-4H3
InChIKeyFYWMATGCWZEJOZ-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107365
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
1-[[1-(2,4-dimethoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415755
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214750
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950
1-[[1-[4-(difluoromethoxy)phenyl]ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415471
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
1-(3-fluoro-4-methoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905987
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105415550) is 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is COc1ccc(C(C)NCC2(N(C)C)CCC2)cc1F.
What is the InChIKey of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is FYWMATGCWZEJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(13-6-7-15(20-4)14(17)10-13)18-11-16(19(2)3)8-5-9-16/h6-7,10,12,18H,5,8-9,11H2,1-4H3.
What are the key properties of 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105415550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).