1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine

C15H24FN3O — CID 105414098

IUPAC1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
SMILESCOc1cc(N(C)CC2(N(C)C)CCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-18(2)15(6-5-7-15)10-19(3)13-9-14(20-4)11(16)8-12(13)17/h8-9H,5-7,10,17H2,1-4H3
InChIKeyNLDMRSVSADOMAC-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.34
Rot. Bonds5

About 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine (PubChem CID 105414098) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
PubChem CID105414098
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
SMILESCOc1cc(N(C)CC2(N(C)C)CCC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O/c1-18(2)15(6-5-7-15)10-19(3)13-9-14(20-4)11(16)8-12(13)17/h8-9H,5-7,10,17H2,1-4H3
InChIKeyNLDMRSVSADOMAC-UHFFFAOYSA-N
XLogP2.34
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine (CID 105414098) is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine is COc1cc(N(C)CC2(N(C)C)CCC2)c(N)cc1F.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine?
The InChIKey is NLDMRSVSADOMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-18(2)15(6-5-7-15)10-19(3)13-9-14(20-4)11(16)8-12(13)17/h8-9H,5-7,10,17H2,1-4H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine?
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine has a molecular weight of 281.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 105414098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).