5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline

C15H24ClNO3 — CID 43147032

IUPAC5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOc1cc(OC)c(NC(C)CC(C)(C)OC)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-10(9-15(2,3)20-6)17-12-7-11(16)13(18-4)8-14(12)19-5/h7-8,10,17H,9H2,1-6H3
InChIKeyGYXKJIQWDRQDMV-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.97
Rot. Bonds7

About 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline

5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline (PubChem CID 43147032) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
PubChem CID43147032
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline
SMILESCOc1cc(OC)c(NC(C)CC(C)(C)OC)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-10(9-15(2,3)20-6)17-12-7-11(16)13(18-4)8-14(12)19-5/h7-8,10,17H,9H2,1-6H3
InChIKeyGYXKJIQWDRQDMV-UHFFFAOYSA-N
XLogP3.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2,4-dimethoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534009
4-methoxy-3-[(4-methoxy-4-methylpentan-2-yl)amino]benzoic acid
CID 63742469
5-chloro-N-(dicyclopropylmethyl)-2,4-dimethoxyaniline
CID 43362759
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropan-1-ol
CID 113343821
2,3,5-trifluoro-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 62811459
4-chloro-N-hex-5-en-2-yl-2,5-dimethoxyaniline
CID 113429521
4-chloro-2,5-dimethoxy-N-(3-methylbutan-2-yl)aniline
CID 43192175
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
5-chloro-2,4-dimethoxy-N-(2-methylpentyl)aniline
CID 43095051
tert-butyl N-[(2R)-5-(5-chloro-2,4-dimethoxyanilino)-5-oxopentan-2-yl]carbamate
CID 100654268

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The IUPAC name of 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline (CID 43147032) is 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The canonical SMILES for 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline is COc1cc(OC)c(NC(C)CC(C)(C)OC)cc1Cl.
What is the InChIKey of 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
The InChIKey is GYXKJIQWDRQDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-10(9-15(2,3)20-6)17-12-7-11(16)13(18-4)8-14(12)19-5/h7-8,10,17H,9H2,1-6H3.
What are the key properties of 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline?
5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline has a molecular weight of 301.81 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxy-N-(4-methoxy-4-methylpentan-2-yl)aniline is sourced from PubChem (CID 43147032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).