N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline

C16H25NO — CID 79834976

IUPACN-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC2CCCCC2(C)C)cc1C
InChIInChI=1S/C16H25NO/c1-12-11-13(8-9-14(12)18-4)17-15-7-5-6-10-16(15,2)3/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyGUADYPXCMUQMEX-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.38
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline

N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline (PubChem CID 79834976) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
PubChem CID79834976
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline
SMILESCOc1ccc(NC2CCCCC2(C)C)cc1C
InChIInChI=1S/C16H25NO/c1-12-11-13(8-9-14(12)18-4)17-15-7-5-6-10-16(15,2)3/h8-9,11,15,17H,5-7,10H2,1-4H3
InChIKeyGUADYPXCMUQMEX-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.38
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

4-bromo-N-(2,2-dimethylcyclohexyl)-3-methoxyaniline
CID 82858064
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
N-(2,2-dimethylcyclopentyl)-3-methoxyaniline
CID 79864652
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
N-(2,2-dimethylcyclohexyl)-3-methyl-4-(tetrazol-1-yl)aniline
CID 79835127
4-methoxy-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998881
3-chloro-N-(2,2-dimethylcyclopentyl)-4-ethoxyaniline
CID 79860269
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
5-[(2,2-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 79835897
2-(4-methoxy-3-methylanilino)cyclohexane-1-carbonitrile
CID 62741164
3-bromo-N-(2,2-dimethylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 107335998

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline (CID 79834976) is N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline is COc1ccc(NC2CCCCC2(C)C)cc1C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline?
The InChIKey is GUADYPXCMUQMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-11-13(8-9-14(12)18-4)17-15-7-5-6-10-16(15,2)3/h8-9,11,15,17H,5-7,10H2,1-4H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline?
N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4-methoxy-3-methylaniline is sourced from PubChem (CID 79834976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).