N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline

C17H27NO — CID 64752605

IUPACN-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C17H27NO/c1-5-19-16-6-7-17(14(4)11-16)18-15-9-12(2)8-13(3)10-15/h6-7,11-13,15,18H,5,8-10H2,1-4H3
InChIKeyCJCGPHZJCPDWKR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.63
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline

N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline (PubChem CID 64752605) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
PubChem CID64752605
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline
SMILESCCOc1ccc(NC2CC(C)CC(C)C2)c(C)c1
InChIInChI=1S/C17H27NO/c1-5-19-16-6-7-17(14(4)11-16)18-15-9-12(2)8-13(3)10-15/h6-7,11-13,15,18H,5,8-10H2,1-4H3
InChIKeyCJCGPHZJCPDWKR-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.63
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-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
CID 64500477
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354
N-(3-cyclopropylcyclohexyl)-4-ethoxy-2-methylaniline
CID 64624806
N-(4-ethoxy-2-methylphenyl)oxolan-3-amine
CID 63335587
N-(4-ethoxy-2-methylphenyl)adamantan-2-amine
CID 63451444
4-ethoxy-N-(3-methylcyclobutyl)aniline
CID 104859963
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
CID 64750853
N-(3,5-dimethylcyclohexyl)-4-iodo-2-methylaniline
CID 64752738
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
N-cyclobutyl-2-methyl-4-propoxyaniline
CID 115884959
4-iodo-2-methyl-N-(3-methylcyclobutyl)aniline
CID 103561331
methyl 4-[(3,5-dimethylcyclohexyl)amino]-3-methylbenzoate
CID 64752950

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline (CID 64752605) is N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline is CCOc1ccc(NC2CC(C)CC(C)C2)c(C)c1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline?
The InChIKey is CJCGPHZJCPDWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-19-16-6-7-17(14(4)11-16)18-15-9-12(2)8-13(3)10-15/h6-7,11-13,15,18H,5,8-10H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline?
N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline has a molecular weight of 261.41 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4-ethoxy-2-methylaniline is sourced from PubChem (CID 64752605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).