tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate

C18H25ClN2O3 — CID 156862728

IUPACtert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COc2cc(Cl)c3c(c2)CC(N)C3)CC1
InChIInChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(4-5-18)10-23-13-7-11-6-12(20)8-14(11)15(19)9-13/h7,9,12H,4-6,8,10,20H2,1-3H3,(H,21,22)
InChIKeySJCNIHKNEGREQP-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate

tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate (PubChem CID 156862728) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
PubChem CID156862728
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Nametert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COc2cc(Cl)c3c(c2)CC(N)C3)CC1
InChIInChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(4-5-18)10-23-13-7-11-6-12(20)8-14(11)15(19)9-13/h7,9,12H,4-6,8,10,20H2,1-3H3,(H,21,22)
InChIKeySJCNIHKNEGREQP-UHFFFAOYSA-N
XLogP3.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
CID 156861889
tert-butyl N-[(2R)-4-chloro-2-(hydroxymethyl)-6-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 166766634
tert-butyl N-[1-[(4-iodo-3,5-dimethylphenoxy)methyl]cyclopropyl]carbamate
CID 164607130
tert-butyl N-[1-[(4-iodo-3-methylphenoxy)methyl]cyclopropyl]carbamate
CID 164607101
tert-butyl N-[1-[(4-acetyl-2-methoxyphenoxy)methyl]cyclopropyl]carbamate
CID 66671985
tert-butyl N-[1-[(4-bromo-2,5-difluorophenoxy)methyl]cyclopropyl]carbamate
CID 164606981
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methoxy]-2-nitrophenyl]carbamate
CID 154940364
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
tert-butyl N-[1-[[7-chloro-1-[(dimethylamino)methyl]-4-oxo-3H-pyrido[3,4-d]pyridazin-5-yl]oxymethyl]cyclopropyl]carbamate
CID 170760116
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
CID 115071653

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate (CID 156862728) is tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(COc2cc(Cl)c3c(c2)CC(N)C3)CC1.
What is the InChIKey of tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The InChIKey is SJCNIHKNEGREQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(4-5-18)10-23-13-7-11-6-12(20)8-14(11)15(19)9-13/h7,9,12H,4-6,8,10,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate has a molecular weight of 352.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-amino-7-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 156862728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).