tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate

C14H21ClN2O2 — CID 155923548

IUPACtert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccc(N)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-17(13(18)19-14(2,3)4)9-10-6-7-12(16)11(15)8-10/h6-8H,5,9,16H2,1-4H3
InChIKeyGZGIYQVZXOGXNV-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate

tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate (PubChem CID 155923548) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
PubChem CID155923548
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Nametert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1ccc(N)c(Cl)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O2/c1-5-17(13(18)19-14(2,3)4)9-10-6-7-12(16)11(15)8-10/h6-8H,5,9,16H2,1-4H3
InChIKeyGZGIYQVZXOGXNV-UHFFFAOYSA-N
XLogP3.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(3,4-dihydroxyphenyl)methyl]-N-ethylcarbamate
CID 142731266
CID 68503930
CID 68503930
tert-butyl N-[[4-chloro-3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcarbamate
CID 68506750
tert-butyl N-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamate
CID 63788319
tert-butyl N-(4-amino-3-chlorophenoxy)-N-ethylcarbamate
CID 175372479
tert-butyl N-ethyl-N-[(3-iodo-4-methoxyphenyl)methyl]carbamate
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tert-butyl N-ethyl-N-[[5-(hydroxymethyl)furan-2-yl]methyl]carbamate
CID 71262900
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-(2-aminoethyl)-N-[(3-chlorophenyl)methyl]carbamate
CID 25209338
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
tert-butyl N-[[3-(2-chloropyrimidin-4-yl)phenyl]methyl]-N-ethylcarbamate
CID 86603270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate (CID 155923548) is tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate is CCN(Cc1ccc(N)c(Cl)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate?
The InChIKey is GZGIYQVZXOGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-5-17(13(18)19-14(2,3)4)9-10-6-7-12(16)11(15)8-10/h6-8H,5,9,16H2,1-4H3.
What are the key properties of tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate?
tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate has a molecular weight of 284.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-amino-3-chlorophenyl)methyl]-N-ethylcarbamate is sourced from PubChem (CID 155923548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).