methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate

C11H16N2O2 — CID 139316286

IUPACmethyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-11(2,13-10(14)15-3)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyIZIFIEVGDXMBEX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.86
Rot. Bonds2

About methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate

methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate (PubChem CID 139316286) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
PubChem CID139316286
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O2/c1-11(2,13-10(14)15-3)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3,(H,13,14)
InChIKeyIZIFIEVGDXMBEX-UHFFFAOYSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
CID 110477784
tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
CID 22981126
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
CID 11369088
2-(4-aminophenyl)-2-methylpropanoyl chloride
CID 117047669
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
methyl N-[2-[4-[(3,4-dimethylphenyl)sulfonylmethyl]phenyl]propan-2-yl]carbamate
CID 18349672
2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
CID 88875751
tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 121449253
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
2-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]ethyl 2-methylprop-2-enoate
CID 176797628
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate (CID 139316286) is methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate is COC(=O)NC(C)(C)c1ccc(N)cc1.
What is the InChIKey of methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate?
The InChIKey is IZIFIEVGDXMBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,13-10(14)15-3)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3,(H,13,14).
What are the key properties of methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate?
methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 139316286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).