4-(2-ethoxypropan-2-yl)aniline

C11H17NO — CID 122627263

IUPAC4-(2-ethoxypropan-2-yl)aniline
SMILESCCOC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-4-13-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4,12H2,1-3H3
InChIKeyVYOHOEMXXPPTNN-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.54
Rot. Bonds3

About 4-(2-ethoxypropan-2-yl)aniline

4-(2-ethoxypropan-2-yl)aniline (PubChem CID 122627263) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-ethoxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-(2-ethoxypropan-2-yl)aniline
PubChem CID122627263
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2-ethoxypropan-2-yl)aniline
SMILESCCOC(C)(C)c1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-4-13-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4,12H2,1-3H3
InChIKeyVYOHOEMXXPPTNN-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.54
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

1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
4-(2-ethoxy-1,1,1-trifluoropropan-2-yl)aniline
CID 148686128
4-(2-phenylmethoxypropan-2-yl)aniline
CID 122627268
1-(diethoxymethyl)-4-(2-ethoxypropan-2-yl)benzene
CID 14121777
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114942256
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
4-[(4-tert-butylphenyl)methyl]aniline
CID 12587648
4-[(4-aminophenyl)methyl]aniline;4-[2-(4-aminophenyl)propan-2-yl]aniline
CID 160813980
3-[4-(2-ethoxypropan-2-yl)phenyl]prop-2-enoic acid
CID 175600586
benzene;4-tert-butylaniline
CID 175140068
4-[1-(4-aminophenyl)-1-(methylamino)propyl]aniline
CID 21116512
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]pentan-2-yl]phenyl]methyl]aniline
CID 22315966

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxypropan-2-yl)aniline?
The IUPAC name of 4-(2-ethoxypropan-2-yl)aniline (CID 122627263) is 4-(2-ethoxypropan-2-yl)aniline.
What is the SMILES notation for 4-(2-ethoxypropan-2-yl)aniline?
The canonical SMILES for 4-(2-ethoxypropan-2-yl)aniline is CCOC(C)(C)c1ccc(N)cc1.
What is the InChIKey of 4-(2-ethoxypropan-2-yl)aniline?
The InChIKey is VYOHOEMXXPPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-13-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4,12H2,1-3H3.
What are the key properties of 4-(2-ethoxypropan-2-yl)aniline?
4-(2-ethoxypropan-2-yl)aniline has a molecular weight of 179.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxypropan-2-yl)aniline is sourced from PubChem (CID 122627263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).