[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate

C14H22N2O3 — CID 129110948

IUPAC[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
SMILESCC(C)(C)C(CCOc1ccc(N)cc1)OC(N)=O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(19-13(16)17)8-9-18-11-6-4-10(15)5-7-11/h4-7,12H,8-9,15H2,1-3H3,(H2,16,17)
InChIKeyBATQOSVEISBTAN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.55
Rot. Bonds5

About [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate

[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate (PubChem CID 129110948) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate.

Molecular Properties

Compound Name[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
PubChem CID129110948
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate
SMILESCC(C)(C)C(CCOc1ccc(N)cc1)OC(N)=O
InChIInChI=1S/C14H22N2O3/c1-14(2,3)12(19-13(16)17)8-9-18-11-6-4-10(15)5-7-11/h4-7,12H,8-9,15H2,1-3H3,(H2,16,17)
InChIKeyBATQOSVEISBTAN-UHFFFAOYSA-N
XLogP2.55
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.55
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

[1-(4-aminophenyl)-3,3-dimethylbutan-2-yl] carbamate
CID 67217930
bis[4-(3-dimethylsilyloxy-4,4-dimethylpentoxy)phenyl]methanone
CID 173273606
4-phenoxybutan-2-yl carbamate
CID 175408222
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
CID 86092479
2-(4-aminophenoxy)ethyl N-tert-butylcarbamate
CID 174910550
[3-(4-aminophenoxy)-1-hydroxypropyl] methanesulfonate
CID 6366997
methyl 3-[3-(4-aminophenoxy)propanoyloxy]-2,2-dimethylpropanoate
CID 79619794
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
2-[3-(4-aminophenoxy)propanoyloxy]pentanoic acid
CID 83050258

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate?
The IUPAC name of [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate (CID 129110948) is [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate.
What is the SMILES notation for [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate?
The canonical SMILES for [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate is CC(C)(C)C(CCOc1ccc(N)cc1)OC(N)=O.
What is the InChIKey of [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate?
The InChIKey is BATQOSVEISBTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,3)12(19-13(16)17)8-9-18-11-6-4-10(15)5-7-11/h4-7,12H,8-9,15H2,1-3H3,(H2,16,17).
What are the key properties of [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate?
[1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenoxy)-4,4-dimethylpentan-3-yl] carbamate is sourced from PubChem (CID 129110948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).