4-butan-2-yloxy-N-methylaniline

C11H17NO — CID 54803415

IUPAC4-butan-2-yloxy-N-methylaniline
SMILESCCC(C)Oc1ccc(NC)cc1
InChIInChI=1S/C11H17NO/c1-4-9(2)13-11-7-5-10(12-3)6-8-11/h5-9,12H,4H2,1-3H3
InChIKeyATEIGAQQCRDKQF-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.91
Rot. Bonds4

About 4-butan-2-yloxy-N-methylaniline

4-butan-2-yloxy-N-methylaniline (PubChem CID 54803415) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-methylaniline.

Molecular Properties

Compound Name4-butan-2-yloxy-N-methylaniline
PubChem CID54803415
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-butan-2-yloxy-N-methylaniline
SMILESCCC(C)Oc1ccc(NC)cc1
InChIInChI=1S/C11H17NO/c1-4-9(2)13-11-7-5-10(12-3)6-8-11/h5-9,12H,4H2,1-3H3
InChIKeyATEIGAQQCRDKQF-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4-butan-2-yloxyphenyl)hydrazine
CID 83814217
N-methyl-4-propan-2-yloxyaniline
CID 18002910
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-methylmethanamine
CID 92983616
4-butan-2-yloxy-N-[2-(4-tert-butylphenoxy)propyl]aniline
CID 54802739
1-butan-2-yloxy-4-chlorobenzene
CID 14121698
4-butan-2-yloxyaniline
CID 13097722
(1R)-1-[4-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007249
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
3-(4-butan-2-yloxyanilino)propane-1,2-diol
CID 168593444
4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
CID 54802779
N-[(4-butan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 54796354

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-methylaniline?
The IUPAC name of 4-butan-2-yloxy-N-methylaniline (CID 54803415) is 4-butan-2-yloxy-N-methylaniline.
What is the SMILES notation for 4-butan-2-yloxy-N-methylaniline?
The canonical SMILES for 4-butan-2-yloxy-N-methylaniline is CCC(C)Oc1ccc(NC)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-methylaniline?
The InChIKey is ATEIGAQQCRDKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-9(2)13-11-7-5-10(12-3)6-8-11/h5-9,12H,4H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-N-methylaniline?
4-butan-2-yloxy-N-methylaniline has a molecular weight of 179.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-methylaniline is sourced from PubChem (CID 54803415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).