2-butoxy-5-phenylaniline

C16H19NO — CID 54853554

IUPAC2-butoxy-5-phenylaniline
SMILESCCCCOc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C16H19NO/c1-2-3-11-18-16-10-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-10,12H,2-3,11,17H2,1H3
InChIKeyGQMBJJUQBDIAPQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.11
Rot. Bonds5

About 2-butoxy-5-phenylaniline

2-butoxy-5-phenylaniline (PubChem CID 54853554) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-butoxy-5-phenylaniline.

Molecular Properties

Compound Name2-butoxy-5-phenylaniline
PubChem CID54853554
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-butoxy-5-phenylaniline
SMILESCCCCOc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C16H19NO/c1-2-3-11-18-16-10-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-10,12H,2-3,11,17H2,1H3
InChIKeyGQMBJJUQBDIAPQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-4-octoxyphenyl)benzoic acid
CID 22131860
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
2-propoxy-5-[4-(trifluoromethoxy)phenyl]aniline
CID 59820872
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
2-(4-phenylbutoxy)-5-[4-(trifluoromethoxy)phenyl]aniline
CID 58007705
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
1-pentoxy-4-phenylbenzene
CID 7021155
2-octoxyaniline
CID 14747235
5-methoxy-2-nonoxyaniline
CID 43128995
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
2-butyl-4-phenylaniline
CID 24835781

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-phenylaniline?
The IUPAC name of 2-butoxy-5-phenylaniline (CID 54853554) is 2-butoxy-5-phenylaniline.
What is the SMILES notation for 2-butoxy-5-phenylaniline?
The canonical SMILES for 2-butoxy-5-phenylaniline is CCCCOc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 2-butoxy-5-phenylaniline?
The InChIKey is GQMBJJUQBDIAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-11-18-16-10-9-14(12-15(16)17)13-7-5-4-6-8-13/h4-10,12H,2-3,11,17H2,1H3.
What are the key properties of 2-butoxy-5-phenylaniline?
2-butoxy-5-phenylaniline has a molecular weight of 241.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-phenylaniline is sourced from PubChem (CID 54853554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).