1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

C17H18N2O2 — CID 80648411

IUPAC1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESc1cc2c(c(CNCc3cccc4c3OCO4)c1)NCC2
InChIInChI=1S/C17H18N2O2/c1-3-12-7-8-19-16(12)13(4-1)9-18-10-14-5-2-6-15-17(14)21-11-20-15/h1-6,18-19H,7-11H2
InChIKeyYOCXDHOIOFONAA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.67
Rot. Bonds4

About 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (PubChem CID 80648411) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
PubChem CID80648411
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESc1cc2c(c(CNCc3cccc4c3OCO4)c1)NCC2
InChIInChI=1S/C17H18N2O2/c1-3-12-7-8-19-16(12)13(4-1)9-18-10-14-5-2-6-15-17(14)21-11-20-15/h1-6,18-19H,7-11H2
InChIKeyYOCXDHOIOFONAA-UHFFFAOYSA-N
XLogP2.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 80649049
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-N,N-dimethylpropanamide
CID 80649036
N-(2,3-dihydro-1H-indol-7-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 80648500
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
CID 43583250
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (CID 80648411) is 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is c1cc2c(c(CNCc3cccc4c3OCO4)c1)NCC2.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The InChIKey is YOCXDHOIOFONAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-12-7-8-19-16(12)13(4-1)9-18-10-14-5-2-6-15-17(14)21-11-20-15/h1-6,18-19H,7-11H2.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine has a molecular weight of 282.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is sourced from PubChem (CID 80648411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).