3-methoxy-N,4-dimethyl-N-phenylaniline

C15H17NO — CID 70967371

IUPAC3-methoxy-N,4-dimethyl-N-phenylaniline
SMILESCOc1cc(N(C)c2ccccc2)ccc1C
InChIInChI=1S/C15H17NO/c1-12-9-10-14(11-15(12)17-3)16(2)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRABVXRRJYJIRRR-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.77
Rot. Bonds3

About 3-methoxy-N,4-dimethyl-N-phenylaniline

3-methoxy-N,4-dimethyl-N-phenylaniline (PubChem CID 70967371) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-N-phenylaniline.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-N-phenylaniline
PubChem CID70967371
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-methoxy-N,4-dimethyl-N-phenylaniline
SMILESCOc1cc(N(C)c2ccccc2)ccc1C
InChIInChI=1S/C15H17NO/c1-12-9-10-14(11-15(12)17-3)16(2)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyRABVXRRJYJIRRR-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethoxy-N-methyl-N-phenylaniline
CID 122399149
[5-(N-[4-[4-[4-(N-(3-methoxy-4-methylphenyl)anilino)phenyl]phenyl]phenyl]anilino)-2-methylphenyl]methanol
CID 59148672
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
4-methoxy-N-methyl-3-phenyl-N-(4-phenylphenyl)aniline
CID 147076032
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 23597813
ethane;2-(3-methoxy-N,4-dimethylanilino)ethanol
CID 144692969
3-methoxy-4-methyl-N,N-dipropylaniline
CID 67208536
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-(3,4-dimethylphenyl)-N-methylnaphthalen-2-amine
CID 163968622

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethyl-N-phenylaniline?
The IUPAC name of 3-methoxy-N,4-dimethyl-N-phenylaniline (CID 70967371) is 3-methoxy-N,4-dimethyl-N-phenylaniline.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-N-phenylaniline?
The canonical SMILES for 3-methoxy-N,4-dimethyl-N-phenylaniline is COc1cc(N(C)c2ccccc2)ccc1C.
What is the InChIKey of 3-methoxy-N,4-dimethyl-N-phenylaniline?
The InChIKey is RABVXRRJYJIRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-12-9-10-14(11-15(12)17-3)16(2)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 3-methoxy-N,4-dimethyl-N-phenylaniline?
3-methoxy-N,4-dimethyl-N-phenylaniline has a molecular weight of 227.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-N-phenylaniline is sourced from PubChem (CID 70967371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).