N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline

C16H25NO2 — CID 64774711

IUPACN-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
SMILESCOc1ccc(NC2CC(C)CCC2C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-11-5-6-12(2)15(9-11)17-14-8-7-13(18-3)10-16(14)19-4/h7-8,10-12,15,17H,5-6,9H2,1-4H3
InChIKeyPBBBLBUUPNBKEH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.94
Rot. Bonds4

About N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline

N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline (PubChem CID 64774711) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
PubChem CID64774711
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
SMILESCOc1ccc(NC2CC(C)CCC2C)c(OC)c1
InChIInChI=1S/C16H25NO2/c1-11-5-6-12(2)15(9-11)17-14-8-7-13(18-3)10-16(14)19-4/h7-8,10-12,15,17H,5-6,9H2,1-4H3
InChIKeyPBBBLBUUPNBKEH-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.94
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

N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
N-(2,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64760800
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
N-(2,4-dimethoxyphenyl)-2-methylthiolan-3-amine
CID 102670987
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64760719
N-(2,5-dimethylcyclohexyl)-3,4,5-trimethoxyaniline
CID 64776149
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
3-(difluoromethoxy)-N-(2,5-dimethylcyclohexyl)-4-methoxyaniline
CID 64761247
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline (CID 64774711) is N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline is COc1ccc(NC2CC(C)CCC2C)c(OC)c1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline?
The InChIKey is PBBBLBUUPNBKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-5-6-12(2)15(9-11)17-14-8-7-13(18-3)10-16(14)19-4/h7-8,10-12,15,17H,5-6,9H2,1-4H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline?
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline has a molecular weight of 263.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline is sourced from PubChem (CID 64774711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).