3-methoxy-5-methyl-N-phenylaniline

C14H15NO — CID 139833752

IUPAC3-methoxy-5-methyl-N-phenylaniline
SMILESCOc1cc(C)cc(Nc2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-8-13(10-14(9-11)16-2)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyZBZWNMONFKEKRI-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.75
Rot. Bonds3

About 3-methoxy-5-methyl-N-phenylaniline

3-methoxy-5-methyl-N-phenylaniline (PubChem CID 139833752) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-phenylaniline.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-phenylaniline
PubChem CID139833752
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-methoxy-5-methyl-N-phenylaniline
SMILESCOc1cc(C)cc(Nc2ccccc2)c1
InChIInChI=1S/C14H15NO/c1-11-8-13(10-14(9-11)16-2)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3
InChIKeyZBZWNMONFKEKRI-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-bromo-5-methylphenyl)-5-methoxybenzene-1,3-diamine
CID 107581916
N-(4-bromophenyl)-3-methoxyaniline
CID 54467433
3-N-(3,5-dimethoxyphenyl)benzene-1,3-diamine
CID 43132798
1-[bromo(phenyl)methyl]-3-methoxy-5-methylbenzene
CID 58027393
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
CID 175904297
CID 175904297
3-methoxy-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 134358030
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-methoxy-3-methyl-N-phenylaniline
CID 23635969

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-phenylaniline?
The IUPAC name of 3-methoxy-5-methyl-N-phenylaniline (CID 139833752) is 3-methoxy-5-methyl-N-phenylaniline.
What is the SMILES notation for 3-methoxy-5-methyl-N-phenylaniline?
The canonical SMILES for 3-methoxy-5-methyl-N-phenylaniline is COc1cc(C)cc(Nc2ccccc2)c1.
What is the InChIKey of 3-methoxy-5-methyl-N-phenylaniline?
The InChIKey is ZBZWNMONFKEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-8-13(10-14(9-11)16-2)15-12-6-4-3-5-7-12/h3-10,15H,1-2H3.
What are the key properties of 3-methoxy-5-methyl-N-phenylaniline?
3-methoxy-5-methyl-N-phenylaniline has a molecular weight of 213.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-phenylaniline is sourced from PubChem (CID 139833752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).