[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate

C19H24N2O3 — CID 141158237

IUPAC[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
SMILESCc1cc(Oc2ccc(N)cc2)c(C)cc1OC(=O)NC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-12-11-17(24-18(22)21-19(3,4)5)13(2)10-16(12)23-15-8-6-14(20)7-9-15/h6-11H,20H2,1-5H3,(H,21,22)
InChIKeyANCLPKIMUIGBER-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.56
Rot. Bonds3

About [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate

[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate (PubChem CID 141158237) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
PubChem CID141158237
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate
SMILESCc1cc(Oc2ccc(N)cc2)c(C)cc1OC(=O)NC(C)(C)C
InChIInChI=1S/C19H24N2O3/c1-12-11-17(24-18(22)21-19(3,4)5)13(2)10-16(12)23-15-8-6-14(20)7-9-15/h6-11H,20H2,1-5H3,(H,21,22)
InChIKeyANCLPKIMUIGBER-UHFFFAOYSA-N
XLogP4.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
[5-(4-aminophenoxy)-1,3-thiazol-2-yl] N-tert-butylcarbamate
CID 141158225
(5-acetyl-4-fluoro-2-methylphenyl) N-tert-butylcarbamate
CID 174637088
(3-aminonaphthalen-2-yl) N-tert-butylcarbamate
CID 174570423
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
[2-amino-4-methyl-5-(trifluoromethyl)phenyl] N-tert-butylcarbamate
CID 174510277
(2-carbamoyl-4-methylphenyl) N-tert-butylcarbamate
CID 143234813
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
2-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 118435267
[3-(2-methyl-4-nitrophenoxy)phenyl] N-tert-butylcarbamate
CID 141158275
4-[4-(4-aminophenoxy)-2,3,5-trimethylphenoxy]aniline
CID 15373716

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate?
The IUPAC name of [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate (CID 141158237) is [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate?
The canonical SMILES for [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate is Cc1cc(Oc2ccc(N)cc2)c(C)cc1OC(=O)NC(C)(C)C.
What is the InChIKey of [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate?
The InChIKey is ANCLPKIMUIGBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-11-17(24-18(22)21-19(3,4)5)13(2)10-16(12)23-15-8-6-14(20)7-9-15/h6-11H,20H2,1-5H3,(H,21,22).
What are the key properties of [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate?
[4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate has a molecular weight of 328.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenoxy)-2,5-dimethylphenyl] N-tert-butylcarbamate is sourced from PubChem (CID 141158237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).