1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine

C20H22FNO2 — CID 119121939

IUPAC1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
SMILESCc1cc(CNC(c2ccc3c(c2)OCCO3)C2CC2)ccc1F
InChIInChI=1S/C20H22FNO2/c1-13-10-14(2-6-17(13)21)12-22-20(15-3-4-15)16-5-7-18-19(11-16)24-9-8-23-18/h2,5-7,10-11,15,20,22H,3-4,8-9,12H2,1H3
InChIKeyORFFNEJBJPYZTR-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.15
Rot. Bonds5

About 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine

1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine (PubChem CID 119121939) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
PubChem CID119121939
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
SMILESCc1cc(CNC(c2ccc3c(c2)OCCO3)C2CC2)ccc1F
InChIInChI=1S/C20H22FNO2/c1-13-10-14(2-6-17(13)21)12-22-20(15-3-4-15)16-5-7-18-19(11-16)24-9-8-23-18/h2,5-7,10-11,15,20,22H,3-4,8-9,12H2,1H3
InChIKeyORFFNEJBJPYZTR-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine with MolForge

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Related Compounds

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 43490475
(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 124694431
N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111760
4-[[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 126772145
2-[[cyclopropyl-(4-fluoro-3-methylphenyl)methyl]amino]ethanol
CID 115898278
N-[cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 43489563
6-bromo-N-[(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62121624
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-phenylmethanamine
CID 43804387
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-fluoro-5-methylsulfonylbenzamide
CID 97001078
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]methanamine
CID 71909461

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine (CID 119121939) is 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine is Cc1cc(CNC(c2ccc3c(c2)OCCO3)C2CC2)ccc1F.
What is the InChIKey of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
The InChIKey is ORFFNEJBJPYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-13-10-14(2-6-17(13)21)12-22-20(15-3-4-15)16-5-7-18-19(11-16)24-9-8-23-18/h2,5-7,10-11,15,20,22H,3-4,8-9,12H2,1H3.
What are the key properties of 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine?
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine has a molecular weight of 327.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 119121939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).