4-methoxy-3-methyl-N-nonan-2-ylaniline

C17H29NO — CID 55193321

IUPAC4-methoxy-3-methyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(3)18-16-11-12-17(19-4)14(2)13-16/h11-13,15,18H,5-10H2,1-4H3
InChIKeyOMXFUILYNZLWGA-UHFFFAOYSA-N
MW263.42 g/mol
LogP5.16
Rot. Bonds9

About 4-methoxy-3-methyl-N-nonan-2-ylaniline

4-methoxy-3-methyl-N-nonan-2-ylaniline (PubChem CID 55193321) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-nonan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-nonan-2-ylaniline
PubChem CID55193321
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-methoxy-3-methyl-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(3)18-16-11-12-17(19-4)14(2)13-16/h11-13,15,18H,5-10H2,1-4H3
InChIKeyOMXFUILYNZLWGA-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.42
LogP ≤ 55.16
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'}

Analyze 4-methoxy-3-methyl-N-nonan-2-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
2-[5-(hexan-2-ylamino)-2-methoxyphenoxy]ethanol
CID 43792374
1-(4-methoxy-3-methylphenyl)decan-1-ol
CID 65148116
1-(4-methoxy-3-methylphenyl)decan-1-amine
CID 65448006
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
3-fluoro-4-methoxy-N-undecan-6-ylaniline
CID 43775903
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
ethyl 2-(4-methoxy-3-methylanilino)pentanoate
CID 79040257

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-nonan-2-ylaniline?
The IUPAC name of 4-methoxy-3-methyl-N-nonan-2-ylaniline (CID 55193321) is 4-methoxy-3-methyl-N-nonan-2-ylaniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-nonan-2-ylaniline?
The canonical SMILES for 4-methoxy-3-methyl-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccc(OC)c(C)c1.
What is the InChIKey of 4-methoxy-3-methyl-N-nonan-2-ylaniline?
The InChIKey is OMXFUILYNZLWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-7-8-9-10-15(3)18-16-11-12-17(19-4)14(2)13-16/h11-13,15,18H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-3-methyl-N-nonan-2-ylaniline?
4-methoxy-3-methyl-N-nonan-2-ylaniline has a molecular weight of 263.42 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-nonan-2-ylaniline is sourced from PubChem (CID 55193321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).