N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine

C18H28N2 — CID 65487131

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)CC1CC2CCCCC2N1
InChIInChI=1S/C18H28N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyFHWFEQQOARZXLR-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.08
Rot. Bonds5

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine (PubChem CID 65487131) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
PubChem CID65487131
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
SMILESCN(CCc1ccccc1)CC1CC2CCCCC2N1
InChIInChI=1S/C18H28N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-4,7-8,16-19H,5-6,9-14H2,1H3
InChIKeyFHWFEQQOARZXLR-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine (CID 65487131) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine is CN(CCc1ccccc1)CC1CC2CCCCC2N1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
The InChIKey is FHWFEQQOARZXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(12-11-15-7-3-2-4-8-15)14-17-13-16-9-5-6-10-18(16)19-17/h2-4,7-8,16-19H,5-6,9-14H2,1H3.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine has a molecular weight of 272.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 65487131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).