4,5-dimethyl-2-octan-2-yloxyaniline

C16H27NO — CID 114281328

IUPAC4,5-dimethyl-2-octan-2-yloxyaniline
SMILESCCCCCCC(C)Oc1cc(C)c(C)cc1N
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-14(4)18-16-11-13(3)12(2)10-15(16)17/h10-11,14H,5-9,17H2,1-4H3
InChIKeyLRAHGSMIFWXOPC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.62
Rot. Bonds7

About 4,5-dimethyl-2-octan-2-yloxyaniline

4,5-dimethyl-2-octan-2-yloxyaniline (PubChem CID 114281328) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-octan-2-yloxyaniline.

Molecular Properties

Compound Name4,5-dimethyl-2-octan-2-yloxyaniline
PubChem CID114281328
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4,5-dimethyl-2-octan-2-yloxyaniline
SMILESCCCCCCC(C)Oc1cc(C)c(C)cc1N
InChIInChI=1S/C16H27NO/c1-5-6-7-8-9-14(4)18-16-11-13(3)12(2)10-15(16)17/h10-11,14H,5-9,17H2,1-4H3
InChIKeyLRAHGSMIFWXOPC-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.62
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

Dianisidine
CID 8411
2-Methoxy-5-Methylaniline
CID 8445
3,7-Diamino-2-methoxyfluorene
CID 276255
o-Dianisidine hydrochloride
CID 12309823
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772
2-(2-Naphthyloxy)aniline
CID 2302295
5-[1-(3-Ethoxy-4-methoxy-phenyl)-vinyl]-2-methoxy-phenylamine
CID 11594581
5-[1-(3-Ethoxy-4-methoxy-phenyl)-propenyl]-2-methoxy-phenylamine
CID 69204757
4-[[4-(2-Aminoethoxy)-2-methylphenyl]methyl]aniline
CID 118429005
Benzenamine, 4,4'-methylenebis(2-methoxy-
CID 458828
2-(Benzyloxy)-4-methylaniline
CID 10987611
3-Amino-4-ethoxybenzonitrile
CID 43518208

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-octan-2-yloxyaniline?
The IUPAC name of 4,5-dimethyl-2-octan-2-yloxyaniline (CID 114281328) is 4,5-dimethyl-2-octan-2-yloxyaniline.
What is the SMILES notation for 4,5-dimethyl-2-octan-2-yloxyaniline?
The canonical SMILES for 4,5-dimethyl-2-octan-2-yloxyaniline is CCCCCCC(C)Oc1cc(C)c(C)cc1N.
What is the InChIKey of 4,5-dimethyl-2-octan-2-yloxyaniline?
The InChIKey is LRAHGSMIFWXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-7-8-9-14(4)18-16-11-13(3)12(2)10-15(16)17/h10-11,14H,5-9,17H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-octan-2-yloxyaniline?
4,5-dimethyl-2-octan-2-yloxyaniline has a molecular weight of 249.40 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-octan-2-yloxyaniline is sourced from PubChem (CID 114281328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).