2-butoxy-N,N-diphenylaniline

C22H23NO — CID 154486534

IUPAC2-butoxy-N,N-diphenylaniline
SMILESCCCCOc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-2-3-18-24-22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyURJLLJJANBMGOD-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.34
Rot. Bonds7

About 2-butoxy-N,N-diphenylaniline

2-butoxy-N,N-diphenylaniline (PubChem CID 154486534) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-butoxy-N,N-diphenylaniline.

Molecular Properties

Compound Name2-butoxy-N,N-diphenylaniline
PubChem CID154486534
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name2-butoxy-N,N-diphenylaniline
SMILESCCCCOc1ccccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H23NO/c1-2-3-18-24-22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyURJLLJJANBMGOD-UHFFFAOYSA-N
XLogP6.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

boric acid;2-hexoxy-N,N-diphenylaniline
CID 174868149
3-hexoxy-N,N,2-triphenylaniline
CID 174676393
N,N-diphenyl-2-phosphanyloxyaniline
CID 141338071
2-[(2-methylpropan-2-yl)oxy]-N,N-diphenylaniline
CID 139964589
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,4-dibutoxynaphthalene
CID 22016411
tris(2-butoxyphenyl)sulfanium
CID 87493432
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N,N-diphenylaniline?
The IUPAC name of 2-butoxy-N,N-diphenylaniline (CID 154486534) is 2-butoxy-N,N-diphenylaniline.
What is the SMILES notation for 2-butoxy-N,N-diphenylaniline?
The canonical SMILES for 2-butoxy-N,N-diphenylaniline is CCCCOc1ccccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-butoxy-N,N-diphenylaniline?
The InChIKey is URJLLJJANBMGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-2-3-18-24-22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3.
What are the key properties of 2-butoxy-N,N-diphenylaniline?
2-butoxy-N,N-diphenylaniline has a molecular weight of 317.43 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N,N-diphenylaniline is sourced from PubChem (CID 154486534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).