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

C18H25ClN2O3 — CID 156861889

IUPACtert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COc2ccc3c(c2Cl)CC(N)C3)CC1
InChIInChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(6-7-18)10-23-14-5-4-11-8-12(20)9-13(11)15(14)19/h4-5,12H,6-10,20H2,1-3H3,(H,21,22)
InChIKeyCGOCWTCJCVMJIV-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.20
Rot. Bonds4

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

tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate (PubChem CID 156861889) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
PubChem CID156861889
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Nametert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(COc2ccc3c(c2Cl)CC(N)C3)CC1
InChIInChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(6-7-18)10-23-14-5-4-11-8-12(20)9-13(11)15(14)19/h4-5,12H,6-10,20H2,1-3H3,(H,21,22)
InChIKeyCGOCWTCJCVMJIV-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate (CID 156861889) is tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(COc2ccc3c(c2Cl)CC(N)C3)CC1.
What is the InChIKey of tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
The InChIKey is CGOCWTCJCVMJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-17(2,3)24-16(22)21-18(6-7-18)10-23-14-5-4-11-8-12(20)9-13(11)15(14)19/h4-5,12H,6-10,20H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[(2-amino-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(2-amino-4-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-4-chloro-2,3-dihydro-1H-inden-5-yl)oxymethyl]cyclopropyl]carbamate is sourced from PubChem (CID 156861889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).