4-methoxy-2-methyl-N-nonylaniline

C17H29NO — CID 63492120

IUPAC4-methoxy-2-methyl-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(OC)cc1C
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-13-18-17-12-11-16(19-3)14-15(17)2/h11-12,14,18H,4-10,13H2,1-3H3
InChIKeyMGJQPRBGHMYPOV-UHFFFAOYSA-N
MW263.43 g/mol
LogP5.17
Rot. Bonds10

About 4-methoxy-2-methyl-N-nonylaniline

4-methoxy-2-methyl-N-nonylaniline (PubChem CID 63492120) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-nonylaniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-nonylaniline
PubChem CID63492120
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name4-methoxy-2-methyl-N-nonylaniline
SMILESCCCCCCCCCNc1ccc(OC)cc1C
InChIInChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-13-18-17-12-11-16(19-3)14-15(17)2/h11-12,14,18H,4-10,13H2,1-3H3
InChIKeyMGJQPRBGHMYPOV-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2-ethoxyethyl)-4-methoxy-2-methylaniline
CID 62872971
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
N-hexyl-4,5-dimethoxy-2-methylaniline
CID 43228540
4-methoxy-2-methyl-N-(3-methylsulfonylpropyl)aniline
CID 55160613
4-methoxy-N-(3-methoxy-3-methylbutyl)-2-methylaniline
CID 102975776
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602
4-methoxy-2-methyl-N-(2-methylsulfonylethyl)aniline
CID 62872422
5-methoxy-2-[[(E)-octadec-9-enyl]amino]benzenesulfonic acid
CID 6437235

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-nonylaniline?
The IUPAC name of 4-methoxy-2-methyl-N-nonylaniline (CID 63492120) is 4-methoxy-2-methyl-N-nonylaniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-nonylaniline?
The canonical SMILES for 4-methoxy-2-methyl-N-nonylaniline is CCCCCCCCCNc1ccc(OC)cc1C.
What is the InChIKey of 4-methoxy-2-methyl-N-nonylaniline?
The InChIKey is MGJQPRBGHMYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-5-6-7-8-9-10-13-18-17-12-11-16(19-3)14-15(17)2/h11-12,14,18H,4-10,13H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-nonylaniline?
4-methoxy-2-methyl-N-nonylaniline has a molecular weight of 263.43 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-nonylaniline is sourced from PubChem (CID 63492120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).