4-(2-butoxyanilino)butan-1-ol

C14H23NO2 — CID 54803446

IUPAC4-(2-butoxyanilino)butan-1-ol
SMILESCCCCOc1ccccc1NCCCCO
InChIInChI=1S/C14H23NO2/c1-2-3-12-17-14-9-5-4-8-13(14)15-10-6-7-11-16/h4-5,8-9,15-16H,2-3,6-7,10-12H2,1H3
InChIKeyCLNJDMBVEJLABV-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds9

About 4-(2-butoxyanilino)butan-1-ol

4-(2-butoxyanilino)butan-1-ol (PubChem CID 54803446) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(2-butoxyanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-butoxyanilino)butan-1-ol
PubChem CID54803446
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(2-butoxyanilino)butan-1-ol
SMILESCCCCOc1ccccc1NCCCCO
InChIInChI=1S/C14H23NO2/c1-2-3-12-17-14-9-5-4-8-13(14)15-10-6-7-11-16/h4-5,8-9,15-16H,2-3,6-7,10-12H2,1H3
InChIKeyCLNJDMBVEJLABV-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
2-ethoxy-N-nonylaniline
CID 43129179
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
1,3-bis(2-butoxyphenyl)urea
CID 17170447
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyanilino)butan-1-ol?
The IUPAC name of 4-(2-butoxyanilino)butan-1-ol (CID 54803446) is 4-(2-butoxyanilino)butan-1-ol.
What is the SMILES notation for 4-(2-butoxyanilino)butan-1-ol?
The canonical SMILES for 4-(2-butoxyanilino)butan-1-ol is CCCCOc1ccccc1NCCCCO.
What is the InChIKey of 4-(2-butoxyanilino)butan-1-ol?
The InChIKey is CLNJDMBVEJLABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-12-17-14-9-5-4-8-13(14)15-10-6-7-11-16/h4-5,8-9,15-16H,2-3,6-7,10-12H2,1H3.
What are the key properties of 4-(2-butoxyanilino)butan-1-ol?
4-(2-butoxyanilino)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyanilino)butan-1-ol is sourced from PubChem (CID 54803446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).