2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine

C17H26N2O — CID 170906435

IUPAC2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine
SMILESNCCC1CNC2CCC(OCc3ccccc3)CC12
InChIInChI=1S/C17H26N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12,18H2
InChIKeySMHPFEWBJJWZFC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds5

About 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine

2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine (PubChem CID 170906435) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine
PubChem CID170906435
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine
SMILESNCCC1CNC2CCC(OCc3ccccc3)CC12
InChIInChI=1S/C17H26N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12,18H2
InChIKeySMHPFEWBJJWZFC-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine with MolForge

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Related Compounds

6,15,24,33-tetrakis(phenylmethoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
CID 173466945
3-phenylmethoxycyclopentan-1-amine
CID 79421215
(1R,2R,5S)-2-chloro-5-phenylmethoxycyclohexan-1-amine
CID 10354246
(1R,2R,5S)-5-phenylmethoxy-2-phenylsulfanylcyclohexan-1-amine
CID 10448310
(1S,3S,5R,6R)-3-phenylmethoxybicyclo[3.2.0]heptan-6-amine
CID 154874589
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
(4-ethynylcyclohexyl)oxymethylbenzene
CID 168926601
1-(aminomethyl)-4-phenylmethoxycyclohexan-1-ol;hydrochloride
CID 69471607
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
azane;cyclopentyloxymethylbenzene
CID 69411306
(4-phenylcyclohexyl)oxymethylbenzene
CID 11043723

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine (CID 170906435) is 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine is NCCC1CNC2CCC(OCc3ccccc3)CC12.
What is the InChIKey of 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine?
The InChIKey is SMHPFEWBJJWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-5,14-17,19H,6-12,18H2.
What are the key properties of 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine?
2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 170906435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).