5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline

C14H24N2O — CID 82257558

IUPAC5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(CCNC(C)(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-5-17-13-7-6-11(10-12(13)15)8-9-16-14(2,3)4/h6-7,10,16H,5,8-9,15H2,1-4H3
InChIKeyDIGJKFUUXGNESH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.60
Rot. Bonds5

About 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline

5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline (PubChem CID 82257558) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline.

Molecular Properties

Compound Name5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
PubChem CID82257558
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline
SMILESCCOc1ccc(CCNC(C)(C)C)cc1N
InChIInChI=1S/C14H24N2O/c1-5-17-13-7-6-11(10-12(13)15)8-9-16-14(2,3)4/h6-7,10,16H,5,8-9,15H2,1-4H3
InChIKeyDIGJKFUUXGNESH-UHFFFAOYSA-N
XLogP2.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.60
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

2-ethoxy-5-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]aniline
CID 95408677
5-[3-(4-tert-butylanilino)propyl]-2-ethoxyaniline
CID 82153944
5-[2-(ethylamino)ethyl]-2-propoxyaniline
CID 82257618
2-[3-(3-amino-4-ethoxyphenyl)propylamino]ethanol
CID 82153190
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,6-difluoroaniline
CID 94760420
2-ethoxy-5-[2-(furan-2-ylmethylamino)ethyl]aniline
CID 82257562
5-[3-(3,4-difluoroanilino)propyl]-2-ethoxyaniline
CID 94760419
3-[3-(3-amino-4-ethoxyphenyl)propylamino]phenol
CID 82153937
N-[3-(3-amino-4-ethoxyphenyl)propyl]-2,3-dimethylaniline
CID 82153932
2-ethoxy-5-[2-(2-morpholin-4-ylethylamino)ethyl]aniline
CID 82257573
5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
5-[2-(propan-2-ylamino)ethyl]-2-propoxyaniline
CID 82257616

Frequently Asked Questions

What is the IUPAC name of 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline?
The IUPAC name of 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline (CID 82257558) is 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline.
What is the SMILES notation for 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline?
The canonical SMILES for 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline is CCOc1ccc(CCNC(C)(C)C)cc1N.
What is the InChIKey of 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline?
The InChIKey is DIGJKFUUXGNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-17-13-7-6-11(10-12(13)15)8-9-16-14(2,3)4/h6-7,10,16H,5,8-9,15H2,1-4H3.
What are the key properties of 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline?
5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline has a molecular weight of 236.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(tert-butylamino)ethyl]-2-ethoxyaniline is sourced from PubChem (CID 82257558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).