N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine

C14H20N2O — CID 80649994

IUPACN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1cccc2c1NCC2
InChIInChI=1S/C14H20N2O/c1-2-17-10-4-8-15-11-13-6-3-5-12-7-9-16-14(12)13/h2-3,5-6,15-16H,1,4,7-11H2
InChIKeyCQOVJDKBAWMYGC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.29
Rot. Bonds7

About N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine

N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine (PubChem CID 80649994) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
PubChem CID80649994
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine
SMILESC=COCCCNCc1cccc2c1NCC2
InChIInChI=1S/C14H20N2O/c1-2-17-10-4-8-15-11-13-6-3-5-12-7-9-16-14(12)13/h2-3,5-6,15-16H,1,4,7-11H2
InChIKeyCQOVJDKBAWMYGC-UHFFFAOYSA-N
XLogP2.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 80650038
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butanoic acid
CID 80649501
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 80649137
2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-ethenoxypropan-1-amine
CID 64508814
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80649698

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine (CID 80649994) is N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine is C=COCCCNCc1cccc2c1NCC2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine?
The InChIKey is CQOVJDKBAWMYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-17-10-4-8-15-11-13-6-3-5-12-7-9-16-14(12)13/h2-3,5-6,15-16H,1,4,7-11H2.
What are the key properties of N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine?
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine has a molecular weight of 232.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethenoxypropan-1-amine is sourced from PubChem (CID 80649994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).