2-butyl-4-phenylaniline

C16H19N — CID 24835781

IUPAC2-butyl-4-phenylaniline
SMILESCCCCc1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C16H19N/c1-2-3-7-15-12-14(10-11-16(15)17)13-8-5-4-6-9-13/h4-6,8-12H,2-3,7,17H2,1H3
InChIKeyUMGSSWXSBGBJIT-UHFFFAOYSA-N
MW225.34 g/mol
LogP4.28
Rot. Bonds4

About 2-butyl-4-phenylaniline

2-butyl-4-phenylaniline (PubChem CID 24835781) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-butyl-4-phenylaniline.

Molecular Properties

Compound Name2-butyl-4-phenylaniline
PubChem CID24835781
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name2-butyl-4-phenylaniline
SMILESCCCCc1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C16H19N/c1-2-3-7-15-12-14(10-11-16(15)17)13-8-5-4-6-9-13/h4-6,8-12H,2-3,7,17H2,1H3
InChIKeyUMGSSWXSBGBJIT-UHFFFAOYSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminophenyl)-2-pentylaniline
CID 66665137
4-(4-aminophenyl)-2-propylaniline
CID 67866626
5-phenyl-2-propylaniline
CID 165495824
4-bromo-2-butylaniline
CID 23053370
1,3-dibutyl-5-[4-(3,5-dibutylphenyl)phenyl]-2-[4-(4-phenylphenyl)phenyl]benzene
CID 90856384
1,2-dibutyl-3,5-diphenylbenzene
CID 174699980
2-pentyl-4-phenylbenzonitrile
CID 102014147
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
2-hexyl-4-N-phenylbenzene-1,4-diamine
CID 67108277
1-(2-amino-5-phenylphenyl)pentan-1-one
CID 83988023
2-butoxy-5-phenylaniline
CID 54853554
1-butyl-4-phenylbenzene;ethane
CID 143743409

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-phenylaniline?
The IUPAC name of 2-butyl-4-phenylaniline (CID 24835781) is 2-butyl-4-phenylaniline.
What is the SMILES notation for 2-butyl-4-phenylaniline?
The canonical SMILES for 2-butyl-4-phenylaniline is CCCCc1cc(-c2ccccc2)ccc1N.
What is the InChIKey of 2-butyl-4-phenylaniline?
The InChIKey is UMGSSWXSBGBJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-2-3-7-15-12-14(10-11-16(15)17)13-8-5-4-6-9-13/h4-6,8-12H,2-3,7,17H2,1H3.
What are the key properties of 2-butyl-4-phenylaniline?
2-butyl-4-phenylaniline has a molecular weight of 225.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-phenylaniline is sourced from PubChem (CID 24835781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).