tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate

C15H23ClN2O2 — CID 84731019

IUPACtert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate
SMILESCC(CN)(Cc1ccccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-14(2,3)20-13(19)18-15(4,10-17)9-11-7-5-6-8-12(11)16/h5-8H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyWWSCJMWNBYBWBG-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate (PubChem CID 84731019) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate
PubChem CID84731019
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate
SMILESCC(CN)(Cc1ccccc1Cl)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23ClN2O2/c1-14(2,3)20-13(19)18-15(4,10-17)9-11-7-5-6-8-12(11)16/h5-8H,9-10,17H2,1-4H3,(H,18,19)
InChIKeyWWSCJMWNBYBWBG-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-chlorophenyl)-2-methyl-3-oxopropan-2-yl]carbamate
CID 84731012
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
(3S)-4-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2761563
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
tert-butyl N-[(2R)-1-amino-2-methylpentan-2-yl]carbamate
CID 129411644
4-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 66996981
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
tert-butyl N-[4-(2-chlorophenyl)-1-oxobutan-2-yl]carbamate
CID 84731009
tert-butyl N-[2-[acetyl-[(2-chlorophenyl)methyl]amino]ethyl]carbamate
CID 113054791
tert-butyl N-[1-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 103761977
tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
CID 84730989

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate (CID 84731019) is tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate is CC(CN)(Cc1ccccc1Cl)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate?
The InChIKey is WWSCJMWNBYBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-14(2,3)20-13(19)18-15(4,10-17)9-11-7-5-6-8-12(11)16/h5-8H,9-10,17H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate has a molecular weight of 298.81 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-amino-3-(2-chlorophenyl)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 84731019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).