[3-(tert-butylamino)phenyl] formate

C11H15NO2 — CID 140940937

IUPAC[3-(tert-butylamino)phenyl] formate
SMILESCC(C)(C)Nc1cccc(OC=O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-9-5-4-6-10(7-9)14-8-13/h4-8,12H,1-3H3
InChIKeyLSWXLPVRLTUNDN-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.43
Rot. Bonds3

About [3-(tert-butylamino)phenyl] formate

[3-(tert-butylamino)phenyl] formate (PubChem CID 140940937) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is [3-(tert-butylamino)phenyl] formate.

Molecular Properties

Compound Name[3-(tert-butylamino)phenyl] formate
PubChem CID140940937
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name[3-(tert-butylamino)phenyl] formate
SMILESCC(C)(C)Nc1cccc(OC=O)c1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12-9-5-4-6-10(7-9)14-8-13/h4-8,12H,1-3H3
InChIKeyLSWXLPVRLTUNDN-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-ethoxyaniline
CID 58745523
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
CID 87675096
CID 87675096
(3-formylphenyl) formate
CID 58195323
(3-bromophenyl) formate
CID 23207322
3-[4-(tert-butylamino)anilino]benzaldehyde
CID 168860115
N-(3-ethoxyphenyl)formamide
CID 57236062
N-tert-butylnaphthalen-2-amine
CID 13200783
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396
(4-tert-butylphenyl) formate
CID 15727718
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097

Frequently Asked Questions

What is the IUPAC name of [3-(tert-butylamino)phenyl] formate?
The IUPAC name of [3-(tert-butylamino)phenyl] formate (CID 140940937) is [3-(tert-butylamino)phenyl] formate.
What is the SMILES notation for [3-(tert-butylamino)phenyl] formate?
The canonical SMILES for [3-(tert-butylamino)phenyl] formate is CC(C)(C)Nc1cccc(OC=O)c1.
What is the InChIKey of [3-(tert-butylamino)phenyl] formate?
The InChIKey is LSWXLPVRLTUNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12-9-5-4-6-10(7-9)14-8-13/h4-8,12H,1-3H3.
What are the key properties of [3-(tert-butylamino)phenyl] formate?
[3-(tert-butylamino)phenyl] formate has a molecular weight of 193.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tert-butylamino)phenyl] formate is sourced from PubChem (CID 140940937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).