tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate

C14H19ClN2O2 — CID 162385011

IUPACtert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(N)c(Cl)c2C1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-9-6-8-4-5-11(16)12(15)10(8)7-9/h4-5,9H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyYZGURMDATPMXLU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.91
Rot. Bonds1

About tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate

tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate (PubChem CID 162385011) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
PubChem CID162385011
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(N)c(Cl)c2C1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-9-6-8-4-5-11(16)12(15)10(8)7-9/h4-5,9H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyYZGURMDATPMXLU-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-fluoro-5-hydroxy-2,3-dihydro-1H-inden-2-yl)carbamate
CID 147682184
2-trimethylsilylethyl N-[4-chloro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 156862428
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-(5-methylsulfonyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 154687251
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 71098528
tert-butyl N-[5-(benzylcarbamoyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 22719645
[6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-4-yl] trifluoromethanesulfonate
CID 162383913
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
tert-butyl N-(3-amino-2-chlorophenyl)carbamate
CID 130506591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate (CID 162385011) is tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(N)c(Cl)c2C1.
What is the InChIKey of tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate?
The InChIKey is YZGURMDATPMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-9-6-8-4-5-11(16)12(15)10(8)7-9/h4-5,9H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate?
tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate has a molecular weight of 282.77 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)carbamate is sourced from PubChem (CID 162385011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).