tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate

C15H24N2O2 — CID 23506958

IUPACtert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)17(14(18)19-15(3,4)5)10-12-6-8-13(16)9-7-12/h6-9,11H,10,16H2,1-5H3
InChIKeyDBFNDCUEESLASL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate

tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate (PubChem CID 23506958) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
PubChem CID23506958
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)17(14(18)19-15(3,4)5)10-12-6-8-13(16)9-7-12/h6-9,11H,10,16H2,1-5H3
InChIKeyDBFNDCUEESLASL-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

2-[4-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]phenyl]acetic acid
CID 170835837
methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059
tert-butyl N-[(3-amino-5-methylphenyl)methyl]-N-propan-2-ylcarbamate
CID 69080435
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 53399063
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 14200640
tert-butyl N-benzyl-N-(3-oxobutan-2-yl)carbamate
CID 130815225
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-[2-(4-aminophenyl)ethyl]-N-methylcarbamate
CID 10083475
tert-butyl N-(naphthalen-1-ylmethyl)-N-propan-2-ylcarbamate
CID 102492141
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-[(4-aminophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)carbamate
CID 59663104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate (CID 23506958) is tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate is CC(C)N(Cc1ccc(N)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate?
The InChIKey is DBFNDCUEESLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17(14(18)19-15(3,4)5)10-12-6-8-13(16)9-7-12/h6-9,11H,10,16H2,1-5H3.
What are the key properties of tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate has a molecular weight of 264.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 23506958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).