N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine

C20H31NO — CID 166997046

IUPACN-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESC[C@H](CNC(C)(C)C)Oc1ccc2c(c1)C=C(C(C)(C)C)C2
InChIInChI=1S/C20H31NO/c1-14(13-21-20(5,6)7)22-18-9-8-15-10-17(19(2,3)4)11-16(15)12-18/h8-9,11-12,14,21H,10,13H2,1-7H3/t14-/m1/s1
InChIKeyPEOBBVOWCXRDHR-CQSZACIVSA-N
MW301.47 g/mol
LogP4.83
Rot. Bonds4

About N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine

N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine (PubChem CID 166997046) has the molecular formula C20H31NO and a molecular weight of 301.47 g/mol. Its IUPAC name is N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine
PubChem CID166997046
Molecular FormulaC20H31NO
Molecular Weight301.47 g/mol
Exact Mass301.24
IUPAC NameN-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESC[C@H](CNC(C)(C)C)Oc1ccc2c(c1)C=C(C(C)(C)C)C2
InChIInChI=1S/C20H31NO/c1-14(13-21-20(5,6)7)22-18-9-8-15-10-17(19(2,3)4)11-16(15)12-18/h8-9,11-12,14,21H,10,13H2,1-7H3/t14-/m1/s1
InChIKeyPEOBBVOWCXRDHR-CQSZACIVSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine (CID 166997046) is N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine is C[C@H](CNC(C)(C)C)Oc1ccc2c(c1)C=C(C(C)(C)C)C2.
What is the InChIKey of N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine?
The InChIKey is PEOBBVOWCXRDHR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H31NO/c1-14(13-21-20(5,6)7)22-18-9-8-15-10-17(19(2,3)4)11-16(15)12-18/h8-9,11-12,14,21H,10,13H2,1-7H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine?
N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine has a molecular weight of 301.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2-tert-butyl-1H-inden-5-yl)oxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 166997046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).