N-tert-butyl-3-ethoxyaniline

C12H19NO — CID 58745523

IUPACN-tert-butyl-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)(C)C)c1
InChIInChI=1S/C12H19NO/c1-5-14-11-8-6-7-10(9-11)13-12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyFILVGVXOLVLNEE-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.30
Rot. Bonds3

About N-tert-butyl-3-ethoxyaniline

N-tert-butyl-3-ethoxyaniline (PubChem CID 58745523) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-tert-butyl-3-ethoxyaniline.

Molecular Properties

Compound NameN-tert-butyl-3-ethoxyaniline
PubChem CID58745523
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-tert-butyl-3-ethoxyaniline
SMILESCCOc1cccc(NC(C)(C)C)c1
InChIInChI=1S/C12H19NO/c1-5-14-11-8-6-7-10(9-11)13-12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyFILVGVXOLVLNEE-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807112
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
3-ethoxy-N-propylaniline
CID 54800867
N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N-(3-ethoxyphenyl)hydroxylamine
CID 13347158
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
[3-(tert-butylamino)phenyl] formate
CID 140940937
N-(3-ethoxyphenyl)formamide
CID 57236062
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-ethoxyaniline?
The IUPAC name of N-tert-butyl-3-ethoxyaniline (CID 58745523) is N-tert-butyl-3-ethoxyaniline.
What is the SMILES notation for N-tert-butyl-3-ethoxyaniline?
The canonical SMILES for N-tert-butyl-3-ethoxyaniline is CCOc1cccc(NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-ethoxyaniline?
The InChIKey is FILVGVXOLVLNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-14-11-8-6-7-10(9-11)13-12(2,3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of N-tert-butyl-3-ethoxyaniline?
N-tert-butyl-3-ethoxyaniline has a molecular weight of 193.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-ethoxyaniline is sourced from PubChem (CID 58745523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).