[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid

C15H24N2O2 — CID 66941433

IUPAC[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C)(C)Cc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)17(13(18)19)15(4,5)10-11-7-6-8-12(16)9-11/h6-9H,10,16H2,1-5H3,(H,18,19)
InChIKeyJKYORHAFBOGUEC-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.37
Rot. Bonds3

About [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid

[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid (PubChem CID 66941433) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid
PubChem CID66941433
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C(C)(C)Cc1cccc(N)c1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)17(13(18)19)15(4,5)10-11-7-6-8-12(16)9-11/h6-9H,10,16H2,1-5H3,(H,18,19)
InChIKeyJKYORHAFBOGUEC-UHFFFAOYSA-N
XLogP3.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.37
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

3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]aniline
CID 89174859
3-[[2-(3-aminophenyl)acetyl]-tert-butylamino]propanoic acid
CID 65349923
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485
tert-butyl(hydroxy)carbamic acid;3-methylaniline
CID 87265135
tert-butyl N-[(3-aminophenyl)methyl]-N-formylcarbamate
CID 145044979
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-(3-aminophenyl)-2-methylpropanoic acid
CID 66894775
2-(3-aminophenyl)-N-phenylmethoxyacetamide
CID 65350168
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 65350441
N-[(3-aminophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103017662

Frequently Asked Questions

What is the IUPAC name of [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid?
The IUPAC name of [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid (CID 66941433) is [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid.
What is the SMILES notation for [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid?
The canonical SMILES for [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C(C)(C)Cc1cccc(N)c1.
What is the InChIKey of [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid?
The InChIKey is JKYORHAFBOGUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)17(13(18)19)15(4,5)10-11-7-6-8-12(16)9-11/h6-9H,10,16H2,1-5H3,(H,18,19).
What are the key properties of [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid?
[1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid has a molecular weight of 264.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-aminophenyl)-2-methylpropan-2-yl]-tert-butylcarbamic acid is sourced from PubChem (CID 66941433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).