N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine

C15H24N2O — CID 82951861

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1CNc2ccccc21)C(C)C
InChIInChI=1S/C15H24N2O/c1-12(2)17(8-9-18-3)11-13-10-16-15-7-5-4-6-14(13)15/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyBTAAIKMRCPSEJE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds6

About N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine (PubChem CID 82951861) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
PubChem CID82951861
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
SMILESCOCCN(CC1CNc2ccccc21)C(C)C
InChIInChI=1S/C15H24N2O/c1-12(2)17(8-9-18-3)11-13-10-16-15-7-5-4-6-14(13)15/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyBTAAIKMRCPSEJE-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine (CID 82951861) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine is COCCN(CC1CNc2ccccc21)C(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
The InChIKey is BTAAIKMRCPSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17(8-9-18-3)11-13-10-16-15-7-5-4-6-14(13)15/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2-methoxyethyl)propan-2-amine is sourced from PubChem (CID 82951861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).