N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline

C16H25NO — CID 63862489

IUPACN-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
SMILESCCC1CCCCC1Nc1ccc(OC)cc1C
InChIInChI=1S/C16H25NO/c1-4-13-7-5-6-8-16(13)17-15-10-9-14(18-3)11-12(15)2/h9-11,13,16-17H,4-8H2,1-3H3
InChIKeyLMRVYQFEPBQKTH-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.38
Rot. Bonds4

About N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline

N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline (PubChem CID 63862489) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
PubChem CID63862489
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
SMILESCCC1CCCCC1Nc1ccc(OC)cc1C
InChIInChI=1S/C16H25NO/c1-4-13-7-5-6-8-16(13)17-15-10-9-14(18-3)11-12(15)2/h9-11,13,16-17H,4-8H2,1-3H3
InChIKeyLMRVYQFEPBQKTH-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
CID 82857766
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
CID 113483426
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
4-(4-methoxy-2-methylanilino)oxolan-3-ol
CID 62871149
2-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 102876314
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117153
[2-(2-amino-5-methoxyanilino)cyclopentyl]methanol
CID 114178402
1-N-(2-ethylcyclohexyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258944

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline?
The IUPAC name of N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline (CID 63862489) is N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline.
What is the SMILES notation for N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline?
The canonical SMILES for N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline is CCC1CCCCC1Nc1ccc(OC)cc1C.
What is the InChIKey of N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline?
The InChIKey is LMRVYQFEPBQKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-7-5-6-8-16(13)17-15-10-9-14(18-3)11-12(15)2/h9-11,13,16-17H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline?
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline is sourced from PubChem (CID 63862489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).