2,4,5-trimethoxy-N-phenylaniline

C15H17NO3 — CID 151522704

IUPAC2,4,5-trimethoxy-N-phenylaniline
SMILESCOc1cc(OC)c(OC)cc1Nc1ccccc1
InChIInChI=1S/C15H17NO3/c1-17-13-10-15(19-3)14(18-2)9-12(13)16-11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyPUUMYMUPABMZDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.46
Rot. Bonds5

About 2,4,5-trimethoxy-N-phenylaniline

2,4,5-trimethoxy-N-phenylaniline (PubChem CID 151522704) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-phenylaniline.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-phenylaniline
PubChem CID151522704
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2,4,5-trimethoxy-N-phenylaniline
SMILESCOc1cc(OC)c(OC)cc1Nc1ccccc1
InChIInChI=1S/C15H17NO3/c1-17-13-10-15(19-3)14(18-2)9-12(13)16-11-7-5-4-6-8-11/h4-10,16H,1-3H3
InChIKeyPUUMYMUPABMZDF-UHFFFAOYSA-N
XLogP3.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-phenylaniline
CID 10910514
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
4-methoxy-N-phenylthiophen-3-amine
CID 148688477
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
4-methoxy-1-N-phenyl-5-phenylmethoxybenzene-1,2-diamine
CID 72699042
1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
N-(2,4,5-trimethoxyphenyl)benzenecarbothioamide
CID 86013134
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
3-methoxy-4-[2-[4-(4-methoxyanilino)phenyl]hydrazinyl]-N-phenylaniline
CID 57321576
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-phenylaniline?
The IUPAC name of 2,4,5-trimethoxy-N-phenylaniline (CID 151522704) is 2,4,5-trimethoxy-N-phenylaniline.
What is the SMILES notation for 2,4,5-trimethoxy-N-phenylaniline?
The canonical SMILES for 2,4,5-trimethoxy-N-phenylaniline is COc1cc(OC)c(OC)cc1Nc1ccccc1.
What is the InChIKey of 2,4,5-trimethoxy-N-phenylaniline?
The InChIKey is PUUMYMUPABMZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-17-13-10-15(19-3)14(18-2)9-12(13)16-11-7-5-4-6-8-11/h4-10,16H,1-3H3.
What are the key properties of 2,4,5-trimethoxy-N-phenylaniline?
2,4,5-trimethoxy-N-phenylaniline has a molecular weight of 259.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-phenylaniline is sourced from PubChem (CID 151522704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).