4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline

C15H23NO2 — CID 65044277

IUPAC4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
SMILESCOc1cc(C)c(NC2CCCC2C)cc1OC
InChIInChI=1S/C15H23NO2/c1-10-6-5-7-12(10)16-13-9-15(18-4)14(17-3)8-11(13)2/h8-10,12,16H,5-7H2,1-4H3
InChIKeyLDGMQPVPHMXZMF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.61
Rot. Bonds4

About 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline

4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline (PubChem CID 65044277) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
PubChem CID65044277
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
SMILESCOc1cc(C)c(NC2CCCC2C)cc1OC
InChIInChI=1S/C15H23NO2/c1-10-6-5-7-12(10)16-13-9-15(18-4)14(17-3)8-11(13)2/h8-10,12,16H,5-7H2,1-4H3
InChIKeyLDGMQPVPHMXZMF-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
1-(4,5-dimethoxy-2-methylphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8660196
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
N-(4,5-dimethoxy-2-methylphenyl)-2-methylthiolan-3-amine
CID 102670990
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43716735
4,5-dimethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 43716724
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 11924075
2-methoxy-4,5-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2984852
N-(2,3-dimethylcyclohexyl)-5-methoxy-2-methylpyridin-4-amine
CID 106660246
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline (CID 65044277) is 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline is COc1cc(C)c(NC2CCCC2C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The InChIKey is LDGMQPVPHMXZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-6-5-7-12(10)16-13-9-15(18-4)14(17-3)8-11(13)2/h8-10,12,16H,5-7H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline has a molecular weight of 249.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 65044277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).