2,4-dimethoxy-N-nonan-2-ylaniline

C17H29NO2 — CID 43129720

IUPAC2,4-dimethoxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-9-10-14(2)18-16-12-11-15(19-3)13-17(16)20-4/h11-14,18H,5-10H2,1-4H3
InChIKeyCFUFALSVCJWOEI-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.86
Rot. Bonds10

About 2,4-dimethoxy-N-nonan-2-ylaniline

2,4-dimethoxy-N-nonan-2-ylaniline (PubChem CID 43129720) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,4-dimethoxy-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-nonan-2-ylaniline
PubChem CID43129720
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,4-dimethoxy-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(OC)cc1OC
InChIInChI=1S/C17H29NO2/c1-5-6-7-8-9-10-14(2)18-16-12-11-15(19-3)13-17(16)20-4/h11-14,18H,5-10H2,1-4H3
InChIKeyCFUFALSVCJWOEI-UHFFFAOYSA-N
XLogP4.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2,5-dimethoxy-N-octan-2-ylaniline
CID 43129776
2,4-dimethoxy-N-pentylaniline
CID 28570496
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
2-methyl-N-octan-2-yl-4-propan-2-yloxyaniline
CID 63451459
N-heptan-2-yl-2-methyl-4-propan-2-yloxyaniline
CID 63450885
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
4-methoxy-3-methyl-N-nonan-2-ylaniline
CID 55193321
N-hexan-2-yl-2-methoxy-5-methylaniline
CID 43761107
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
3-chloro-4-methoxy-N-nonan-2-ylaniline
CID 43129722
2-(2,4-dimethoxyanilino)-N-propylpropanamide
CID 43087415
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-nonan-2-ylaniline?
The IUPAC name of 2,4-dimethoxy-N-nonan-2-ylaniline (CID 43129720) is 2,4-dimethoxy-N-nonan-2-ylaniline.
What is the SMILES notation for 2,4-dimethoxy-N-nonan-2-ylaniline?
The canonical SMILES for 2,4-dimethoxy-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-nonan-2-ylaniline?
The InChIKey is CFUFALSVCJWOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-7-8-9-10-14(2)18-16-12-11-15(19-3)13-17(16)20-4/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N-nonan-2-ylaniline?
2,4-dimethoxy-N-nonan-2-ylaniline has a molecular weight of 279.42 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-nonan-2-ylaniline is sourced from PubChem (CID 43129720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).