4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine

C16H23FN2O — CID 79121920

IUPAC4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1Cc2cc(F)ccc2O1)C1CCC(N)CC1
InChIInChI=1S/C16H23FN2O/c1-19(14-5-3-13(18)4-6-14)10-15-9-11-8-12(17)2-7-16(11)20-15/h2,7-8,13-15H,3-6,9-10,18H2,1H3
InChIKeyDDYSSKQKELTBCB-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.33
Rot. Bonds3

About 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121920) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121920
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CC1Cc2cc(F)ccc2O1)C1CCC(N)CC1
InChIInChI=1S/C16H23FN2O/c1-19(14-5-3-13(18)4-6-14)10-15-9-11-8-12(17)2-7-16(11)20-15/h2,7-8,13-15H,3-6,9-10,18H2,1H3
InChIKeyDDYSSKQKELTBCB-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanethioamide
CID 66364311
3-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 66365258
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanoic acid
CID 66365503
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915990
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313152
2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
CID 114242591
2-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80691015
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]butanimidamide
CID 66364711
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121920) is 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine is CN(CC1Cc2cc(F)ccc2O1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is DDYSSKQKELTBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-19(14-5-3-13(18)4-6-14)10-15-9-11-8-12(17)2-7-16(11)20-15/h2,7-8,13-15H,3-6,9-10,18H2,1H3.
What are the key properties of 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 278.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).