[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid

C13H20N2O2 — CID 67325875

IUPAC[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(15(4)12(16)17)9-5-7-10(14)8-6-9/h5-8,11H,14H2,1-4H3,(H,16,17)
InChIKeyJXGNMBZTTXANMC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds2

About [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid

[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid (PubChem CID 67325875) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
PubChem CID67325875
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C(c1ccc(N)cc1)C(C)(C)C
InChIInChI=1S/C13H20N2O2/c1-13(2,3)11(15(4)12(16)17)9-5-7-10(14)8-6-9/h5-8,11H,14H2,1-4H3,(H,16,17)
InChIKeyJXGNMBZTTXANMC-UHFFFAOYSA-N
XLogP2.97
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromophenyl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 67120690
methyl N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-N-methylcarbamate
CID 70937709
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
2-(4-aminophenyl)-N,N,2-trimethylpropanamide
CID 80556055
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
(2S)-2-amino-2-(4-tert-butylphenyl)-N,N-dimethylacetamide
CID 95180326
tert-butyl (2R)-2-(4-aminophenyl)propanoate
CID 177349025
3-(4-aminophenyl)-2-oxobutanoic acid
CID 58875209
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid?
The IUPAC name of [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid (CID 67325875) is [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid.
What is the SMILES notation for [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid?
The canonical SMILES for [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid is CN(C(=O)O)C(c1ccc(N)cc1)C(C)(C)C.
What is the InChIKey of [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid?
The InChIKey is JXGNMBZTTXANMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)11(15(4)12(16)17)9-5-7-10(14)8-6-9/h5-8,11H,14H2,1-4H3,(H,16,17).
What are the key properties of [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid?
[1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid has a molecular weight of 236.31 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)-2,2-dimethylpropyl]-methylcarbamic acid is sourced from PubChem (CID 67325875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).