tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride

C14H21ClN2O2 — CID 178200769

IUPACtert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCc2cc(CN)ccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16;/h4-5,8H,6-7,9,15H2,1-3H3;1H
InChIKeyDLOQQMLLLUSUMH-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride

tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride (PubChem CID 178200769) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
PubChem CID178200769
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCc2cc(CN)ccc21.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16;/h4-5,8H,6-7,9,15H2,1-3H3;1H
InChIKeyDLOQQMLLLUSUMH-UHFFFAOYSA-N
XLogP2.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 6-(2-aminopropyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469487
tert-butyl 5-[2-oxo-2-(phenylmethoxyamino)ethyl]-2,3-dihydroindole-1-carboxylate
CID 89464407
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 75429777
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride (CID 178200769) is tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCc2cc(CN)ccc21.Cl.
What is the InChIKey of tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride?
The InChIKey is DLOQQMLLLUSUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16;/h4-5,8H,6-7,9,15H2,1-3H3;1H.
What are the key properties of tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride?
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride is sourced from PubChem (CID 178200769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).