tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate

C15H24N2O2 — CID 11369088

IUPACtert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-15(4,5)10-11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKeyOEEIRZJTAJBCEB-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.11
Rot. Bonds3

About tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate (PubChem CID 11369088) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
PubChem CID11369088
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-15(4,5)10-11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,18)
InChIKeyOEEIRZJTAJBCEB-UHFFFAOYSA-N
XLogP3.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

tert-butyl N-[2-methyl-1-(4-nitrophenyl)propan-2-yl]carbamate
CID 22981071
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
methyl 3-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoate
CID 59713561
3-O-tert-butyl 1-O-methyl (2S)-2-amino-2-[(4-aminophenyl)methyl]propanedioate
CID 175471654
3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22630288
tert-butyl N-[1-(4-aminophenyl)-3-sulfanylidenebutan-2-yl]carbamate
CID 90941469
tert-butyl (2S)-2-amino-2-[(4-aminophenyl)methyl]-3-(hydroxyamino)-3-oxopropanoate
CID 172718011
tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
CID 22981126
4-[[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]methyl]benzoic acid
CID 107249964
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-[1-[(2-aminophenyl)methylamino]-2-methylpropan-2-yl]carbamate
CID 107249937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate (CID 11369088) is tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate is CC(C)(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate?
The InChIKey is OEEIRZJTAJBCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-15(4,5)10-11-6-8-12(16)9-7-11/h6-9H,10,16H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate has a molecular weight of 264.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-aminophenyl)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 11369088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).