N,N-dibutyl-3-methoxyaniline

C15H25NO — CID 4068285

IUPACN,N-dibutyl-3-methoxyaniline
SMILESCCCCN(CCCC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-4-6-11-16(12-7-5-2)14-9-8-10-15(13-14)17-3/h8-10,13H,4-7,11-12H2,1-3H3
InChIKeyBHRRIXUIPSCYJA-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.10
Rot. Bonds8

About N,N-dibutyl-3-methoxyaniline

N,N-dibutyl-3-methoxyaniline (PubChem CID 4068285) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-dibutyl-3-methoxyaniline.

Molecular Properties

Compound NameN,N-dibutyl-3-methoxyaniline
PubChem CID4068285
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-dibutyl-3-methoxyaniline
SMILESCCCCN(CCCC)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-4-6-11-16(12-7-5-2)14-9-8-10-15(13-14)17-3/h8-10,13H,4-7,11-12H2,1-3H3
InChIKeyBHRRIXUIPSCYJA-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Neostigmine
CID 4456
Neostigmine Bromide
CID 8246
Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
Neostigmine Methylsulfate
CID 5824
3-Methoxyaniline
CID 10824
3-(Diethylamino)phenol
CID 7062
3-(Dimethylamino)phenol
CID 7421
N-(3-methoxyphenyl)piperazine
CID 81430
3'-Ethoxyacetanilide
CID 11570
Acetamide, N-(3-methoxyphenyl)-
CID 11494
N,N-Dibutyl-3-aminophenol
CID 601234

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3-methoxyaniline?
The IUPAC name of N,N-dibutyl-3-methoxyaniline (CID 4068285) is N,N-dibutyl-3-methoxyaniline.
What is the SMILES notation for N,N-dibutyl-3-methoxyaniline?
The canonical SMILES for N,N-dibutyl-3-methoxyaniline is CCCCN(CCCC)c1cccc(OC)c1.
What is the InChIKey of N,N-dibutyl-3-methoxyaniline?
The InChIKey is BHRRIXUIPSCYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-6-11-16(12-7-5-2)14-9-8-10-15(13-14)17-3/h8-10,13H,4-7,11-12H2,1-3H3.
What are the key properties of N,N-dibutyl-3-methoxyaniline?
N,N-dibutyl-3-methoxyaniline has a molecular weight of 235.37 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-methoxyaniline is sourced from PubChem (CID 4068285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).