2-butoxy-N,N-dibutyl-5-tert-butylaniline

C22H39NO — CID 71406023

IUPAC2-butoxy-N,N-dibutyl-5-tert-butylaniline
SMILESCCCCOc1ccc(C(C)(C)C)cc1N(CCCC)CCCC
InChIInChI=1S/C22H39NO/c1-7-10-15-23(16-11-8-2)20-18-19(22(4,5)6)13-14-21(20)24-17-12-9-3/h13-14,18H,7-12,15-17H2,1-6H3
InChIKeyCJIQFBKXHZQXSH-UHFFFAOYSA-N
MW333.56 g/mol
LogP6.57
Rot. Bonds11

About 2-butoxy-N,N-dibutyl-5-tert-butylaniline

2-butoxy-N,N-dibutyl-5-tert-butylaniline (PubChem CID 71406023) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-butoxy-N,N-dibutyl-5-tert-butylaniline.

Molecular Properties

Compound Name2-butoxy-N,N-dibutyl-5-tert-butylaniline
PubChem CID71406023
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name2-butoxy-N,N-dibutyl-5-tert-butylaniline
SMILESCCCCOc1ccc(C(C)(C)C)cc1N(CCCC)CCCC
InChIInChI=1S/C22H39NO/c1-7-10-15-23(16-11-8-2)20-18-19(22(4,5)6)13-14-21(20)24-17-12-9-3/h13-14,18H,7-12,15-17H2,1-6H3
InChIKeyCJIQFBKXHZQXSH-UHFFFAOYSA-N
XLogP6.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 56.57
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

1,1-bis(2-butoxy-5-tert-butylphenyl)propan-1-ol
CID 23135771
butyl-[2-(4-tert-butyl-2-methylphenoxy)ethyl]azanium
CID 2580791
4-tert-butyl-2-[(E)-2-[4-[(E)-2-(5-tert-butyl-2-hexoxyphenyl)ethenyl]phenyl]ethenyl]-1-hexoxybenzene
CID 102415017
1,2-bis(5-tert-butyl-2-octoxyphenyl)ethane-1,2-dione
CID 141165582
4-tert-butyl-1,2-bis(3-chloropropoxy)benzene
CID 13295778
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
1-(5-tert-butyl-2-octoxyphenyl)propan-1-ol
CID 141201801
5-tert-butyl-N-methyl-2-propoxyaniline
CID 82264393
N-[(2S)-butan-2-yl]-4-(4-tert-butyl-2-methylphenoxy)butan-1-amine
CID 2181390
2-butoxy-4-(dibutylamino)benzenediazonium hexafluorophosphate
CID 19760814

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N,N-dibutyl-5-tert-butylaniline?
The IUPAC name of 2-butoxy-N,N-dibutyl-5-tert-butylaniline (CID 71406023) is 2-butoxy-N,N-dibutyl-5-tert-butylaniline.
What is the SMILES notation for 2-butoxy-N,N-dibutyl-5-tert-butylaniline?
The canonical SMILES for 2-butoxy-N,N-dibutyl-5-tert-butylaniline is CCCCOc1ccc(C(C)(C)C)cc1N(CCCC)CCCC.
What is the InChIKey of 2-butoxy-N,N-dibutyl-5-tert-butylaniline?
The InChIKey is CJIQFBKXHZQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-7-10-15-23(16-11-8-2)20-18-19(22(4,5)6)13-14-21(20)24-17-12-9-3/h13-14,18H,7-12,15-17H2,1-6H3.
What are the key properties of 2-butoxy-N,N-dibutyl-5-tert-butylaniline?
2-butoxy-N,N-dibutyl-5-tert-butylaniline has a molecular weight of 333.56 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N,N-dibutyl-5-tert-butylaniline is sourced from PubChem (CID 71406023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).