1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride

C16H25ClN2O2 — CID 3072986

IUPAC1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride
SMILESCc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4;/h5-8,12,17-19H,9-10H2,1-4H3;1H
InChIKeyRYWYJFFZUWUUIY-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.03
Rot. Bonds5

About 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride

1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride (PubChem CID 3072986) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride
PubChem CID3072986
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride
SMILESCc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4;/h5-8,12,17-19H,9-10H2,1-4H3;1H
InChIKeyRYWYJFFZUWUUIY-UHFFFAOYSA-N
XLogP3.03
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride (CID 3072986) is 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride is Cc1c[nH]c2cccc(OCC(O)CNC(C)(C)C)c12.Cl.
What is the InChIKey of 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride?
The InChIKey is RYWYJFFZUWUUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-8-17-13-6-5-7-14(15(11)13)20-10-12(19)9-18-16(2,3)4;/h5-8,12,17-19H,9-10H2,1-4H3;1H.
What are the key properties of 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride?
1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[(3-methyl-1H-indol-4-yl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 3072986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).