N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C17H17NO2 — CID 43202744

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO2/c1-2-4-14-13(3-1)6-7-15(14)18-10-12-5-8-16-17(9-12)20-11-19-16/h1-5,8-9,15,18H,6-7,10-11H2
InChIKeyFEMVZZMPWSEYHX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43202744) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43202744
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO2/c1-2-4-14-13(3-1)6-7-15(14)18-10-12-5-8-16-17(9-12)20-11-19-16/h1-5,8-9,15,18H,6-7,10-11H2
InChIKeyFEMVZZMPWSEYHX-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
N-[(3-bromo-4-chlorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 83235273
N-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 62537600
3-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26065569
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
3-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzonitrile
CID 43181888
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 115526029
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 47008998
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26330704
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzenesulfinic acid
CID 118861554
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254628

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 43202744) is N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CCC2NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FEMVZZMPWSEYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-4-14-13(3-1)6-7-15(14)18-10-12-5-8-16-17(9-12)20-11-19-16/h1-5,8-9,15,18H,6-7,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43202744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).