N,N,2-trimethyl-6-phenoxyaniline

C15H17NO — CID 91549486

IUPACN,N,2-trimethyl-6-phenoxyaniline
SMILESCc1cccc(Oc2ccccc2)c1N(C)C
InChIInChI=1S/C15H17NO/c1-12-8-7-11-14(15(12)16(2)3)17-13-9-5-4-6-10-13/h4-11H,1-3H3
InChIKeyHVGSXTFGZOEWBD-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.85
Rot. Bonds3

About N,N,2-trimethyl-6-phenoxyaniline

N,N,2-trimethyl-6-phenoxyaniline (PubChem CID 91549486) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N,N,2-trimethyl-6-phenoxyaniline.

Molecular Properties

Compound NameN,N,2-trimethyl-6-phenoxyaniline
PubChem CID91549486
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN,N,2-trimethyl-6-phenoxyaniline
SMILESCc1cccc(Oc2ccccc2)c1N(C)C
InChIInChI=1S/C15H17NO/c1-12-8-7-11-14(15(12)16(2)3)17-13-9-5-4-6-10-13/h4-11H,1-3H3
InChIKeyHVGSXTFGZOEWBD-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-2-phenoxybenzene
CID 90950955
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
CID 175940510
4-(2,3-dimethylphenoxy)-N,N-dimethylaniline
CID 59069197
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526
4,5-dimethyl-1-phenoxynaphthalene
CID 54090938
(2-methyl-6-phenoxyphenyl) acetate
CID 163299035
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
3-methyl-7-phenoxy-1-benzothiophene
CID 23543487
1,3-diphenoxy-2-phenylbenzene
CID 88611434
ethane;1-fluoro-2-phenoxybenzene
CID 170962676

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-phenoxyaniline?
The IUPAC name of N,N,2-trimethyl-6-phenoxyaniline (CID 91549486) is N,N,2-trimethyl-6-phenoxyaniline.
What is the SMILES notation for N,N,2-trimethyl-6-phenoxyaniline?
The canonical SMILES for N,N,2-trimethyl-6-phenoxyaniline is Cc1cccc(Oc2ccccc2)c1N(C)C.
What is the InChIKey of N,N,2-trimethyl-6-phenoxyaniline?
The InChIKey is HVGSXTFGZOEWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-8-7-11-14(15(12)16(2)3)17-13-9-5-4-6-10-13/h4-11H,1-3H3.
What are the key properties of N,N,2-trimethyl-6-phenoxyaniline?
N,N,2-trimethyl-6-phenoxyaniline has a molecular weight of 227.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-phenoxyaniline is sourced from PubChem (CID 91549486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).