5-bromo-2-(2-ethoxypropan-2-yl)aniline

C11H16BrNO — CID 146422454

IUPAC5-bromo-2-(2-ethoxypropan-2-yl)aniline
SMILESCCOC(C)(C)c1ccc(Br)cc1N
InChIInChI=1S/C11H16BrNO/c1-4-14-11(2,3)9-6-5-8(12)7-10(9)13/h5-7H,4,13H2,1-3H3
InChIKeyZFAKYRJIURVOLK-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.30
Rot. Bonds3

About 5-bromo-2-(2-ethoxypropan-2-yl)aniline

5-bromo-2-(2-ethoxypropan-2-yl)aniline (PubChem CID 146422454) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxypropan-2-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxypropan-2-yl)aniline
PubChem CID146422454
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name5-bromo-2-(2-ethoxypropan-2-yl)aniline
SMILESCCOC(C)(C)c1ccc(Br)cc1N
InChIInChI=1S/C11H16BrNO/c1-4-14-11(2,3)9-6-5-8(12)7-10(9)13/h5-7H,4,13H2,1-3H3
InChIKeyZFAKYRJIURVOLK-UHFFFAOYSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(2-ethoxy-2-methylpropyl)benzene-1,2-diamine
CID 114940519
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
5-bromo-2-(2-methylbutan-2-yloxymethyl)aniline
CID 114380790
5-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)aniline
CID 107286657
ethyl (2S)-2-(2-amino-4-bromophenyl)propanoate
CID 162468929
methyl 2-(2-amino-4-bromophenyl)butanoate
CID 143694344
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
4-bromo-1-N-[2-(4-ethoxyphenyl)ethyl]benzene-1,2-diamine
CID 115125520
6-bromo-2-[2-(2-ethoxypropan-2-yl)phenoxy]pyridin-3-amine
CID 86601896
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)aniline?
The IUPAC name of 5-bromo-2-(2-ethoxypropan-2-yl)aniline (CID 146422454) is 5-bromo-2-(2-ethoxypropan-2-yl)aniline.
What is the SMILES notation for 5-bromo-2-(2-ethoxypropan-2-yl)aniline?
The canonical SMILES for 5-bromo-2-(2-ethoxypropan-2-yl)aniline is CCOC(C)(C)c1ccc(Br)cc1N.
What is the InChIKey of 5-bromo-2-(2-ethoxypropan-2-yl)aniline?
The InChIKey is ZFAKYRJIURVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-4-14-11(2,3)9-6-5-8(12)7-10(9)13/h5-7H,4,13H2,1-3H3.
What are the key properties of 5-bromo-2-(2-ethoxypropan-2-yl)aniline?
5-bromo-2-(2-ethoxypropan-2-yl)aniline has a molecular weight of 258.16 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 5-bromo-2-(2-ethoxypropan-2-yl)aniline is sourced from PubChem (CID 146422454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).