4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline

C14H21NO — CID 65045492

IUPAC4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
SMILESCOc1ccc(NC2CCCC2C)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-13(10)15-14-8-7-12(16-3)9-11(14)2/h7-10,13,15H,4-6H2,1-3H3
InChIKeyZVHZXEXFOOZPTG-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.60
Rot. Bonds3

About 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline

4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline (PubChem CID 65045492) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
PubChem CID65045492
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
SMILESCOc1ccc(NC2CCCC2C)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-13(10)15-14-8-7-12(16-3)9-11(14)2/h7-10,13,15H,4-6H2,1-3H3
InChIKeyZVHZXEXFOOZPTG-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
4,5-dimethoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65044277
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
4-(4-methoxy-2-methylanilino)oxolan-3-ol
CID 62871149
N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 10760798
2-[(4-methoxy-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816365
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline (CID 65045492) is 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline is COc1ccc(NC2CCCC2C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
The InChIKey is ZVHZXEXFOOZPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-4-6-13(10)15-14-8-7-12(16-3)9-11(14)2/h7-10,13,15H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline?
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.60, 3 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-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 65045492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).