tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate

C14H19ClN2O2 — CID 169467171

IUPACtert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-4-5-10-9-11(16)6-7-12(10)15/h4-7,9H,8,16H2,1-3H3,(H,17,18)
InChIKeyMQYRVEXRXXMGPO-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.46
Rot. Bonds3

About tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate (PubChem CID 169467171) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
PubChem CID169467171
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-4-5-10-9-11(16)6-7-12(10)15/h4-7,9H,8,16H2,1-3H3,(H,17,18)
InChIKeyMQYRVEXRXXMGPO-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(2-chloro-5-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467073
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(4-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169467051
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467081
tert-butyl N-[3-(4-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467082
tert-butyl N-[4-(2-chloro-5-hydroxyphenyl)but-3-enyl]carbamate
CID 170490027
tert-butyl N-[3-(3-bromo-4-chlorophenyl)prop-2-enyl]carbamate
CID 169468558
tert-butyl N-[3-(2-chloro-4-cyanophenyl)prop-2-enyl]carbamate
CID 169467497
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
tert-butyl N-[3-(5-chloro-2-cyanophenyl)prop-2-enyl]carbamate
CID 169467512
tert-butyl N-[3-(5-amino-2-chlorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170809277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate (CID 169467171) is tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cc(N)ccc1Cl.
What is the InChIKey of tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate?
The InChIKey is MQYRVEXRXXMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,3)19-13(18)17-8-4-5-10-9-11(16)6-7-12(10)15/h4-7,9H,8,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate has a molecular weight of 282.77 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-amino-2-chlorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).