2-methyl-4-nonoxyaniline

C16H27NO — CID 43128997

IUPAC2-methyl-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(N)c(C)c1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-12-18-15-10-11-16(17)14(2)13-15/h10-11,13H,3-9,12,17H2,1-2H3
InChIKeyCYUVEJQLCZXJBP-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.71
Rot. Bonds9

About 2-methyl-4-nonoxyaniline

2-methyl-4-nonoxyaniline (PubChem CID 43128997) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-4-nonoxyaniline.

Molecular Properties

Compound Name2-methyl-4-nonoxyaniline
PubChem CID43128997
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-4-nonoxyaniline
SMILESCCCCCCCCCOc1ccc(N)c(C)c1
InChIInChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-12-18-15-10-11-16(17)14(2)13-15/h10-11,13H,3-9,12,17H2,1-2H3
InChIKeyCYUVEJQLCZXJBP-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.71
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-(5-aminopentoxy)-2-methylaniline
CID 164576762
4-heptoxybenzene-1,2-diamine
CID 54795786
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-amino-5-heptoxybenzoic acid
CID 54888058
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-octoxy-2-propoxyaniline
CID 63676334
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-ethoxy-4-pentoxyaniline
CID 63678215
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-methoxy-5-octoxyaniline
CID 103201140
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nonoxyaniline?
The IUPAC name of 2-methyl-4-nonoxyaniline (CID 43128997) is 2-methyl-4-nonoxyaniline.
What is the SMILES notation for 2-methyl-4-nonoxyaniline?
The canonical SMILES for 2-methyl-4-nonoxyaniline is CCCCCCCCCOc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-nonoxyaniline?
The InChIKey is CYUVEJQLCZXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-4-5-6-7-8-9-12-18-15-10-11-16(17)14(2)13-15/h10-11,13H,3-9,12,17H2,1-2H3.
What are the key properties of 2-methyl-4-nonoxyaniline?
2-methyl-4-nonoxyaniline has a molecular weight of 249.40 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nonoxyaniline is sourced from PubChem (CID 43128997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).