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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).