tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate

C14H21ClN2O2 — CID 84730749

IUPACtert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-9-10(8-16)11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyHNOLDXMPISCLPA-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.91
Rot. Bonds4

About tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate

tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate (PubChem CID 84730749) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
PubChem CID84730749
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CN)c1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-9-10(8-16)11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18)
InChIKeyHNOLDXMPISCLPA-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
CID 51601253
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
3-(2-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 167714337
diethyl 2-[(R)-(2-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 134849780
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
ethyl (2S,3R)-3-(2-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 100995159
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
CID 59536886
tert-butyl N-[3-[[N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate
CID 111999225
tert-butyl N-[(1S,2R)-1-(2-chlorophenyl)-2-nitropropyl]carbamate
CID 101454592
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate (CID 84730749) is tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(CN)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate?
The InChIKey is HNOLDXMPISCLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)19-13(18)17-9-10(8-16)11-6-4-5-7-12(11)15/h4-7,10H,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate?
tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate has a molecular weight of 284.79 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate is sourced from PubChem (CID 84730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).