tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate

C16H23ClN2O2 — CID 107238238

IUPACtert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-10(11-7-5-6-8-12(11)17)18-13-9-14(13)19-15(20)21-16(2,3)4/h5-8,10,13-14,18H,9H2,1-4H3,(H,19,20)
InChIKeyORIXKVPUAXGCMF-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.66
Rot. Bonds4

About tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate

tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate (PubChem CID 107238238) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
PubChem CID107238238
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
SMILESCC(NC1CC1NC(=O)OC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-10(11-7-5-6-8-12(11)17)18-13-9-14(13)19-15(20)21-16(2,3)4/h5-8,10,13-14,18H,9H2,1-4H3,(H,19,20)
InChIKeyORIXKVPUAXGCMF-UHFFFAOYSA-N
XLogP3.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[1-(2,4-dihydroxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107237842
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103245807
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]cyclobutane-1-carboxylic acid
CID 103260204
tert-butyl N-[2-[1-(1-benzothiophen-2-yl)ethylamino]cyclopropyl]carbamate
CID 107238045
tert-butyl N-[2-[1-(1H-pyrazol-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237572
tert-butyl N-[2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]cyclopropyl]carbamate
CID 107238280
tert-butyl N-[2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopropyl]carbamate
CID 107237507
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[2-(1-pyrazin-2-ylethylamino)cyclopropyl]carbamate
CID 107237510
tert-butyl N-[2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]cyclopropyl]carbamate
CID 107238193
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate (CID 107238238) is tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate is CC(NC1CC1NC(=O)OC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate?
The InChIKey is ORIXKVPUAXGCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-10(11-7-5-6-8-12(11)17)18-13-9-14(13)19-15(20)21-16(2,3)4/h5-8,10,13-14,18H,9H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate?
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate has a molecular weight of 310.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate is sourced from PubChem (CID 107238238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).