N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline

C15H23NO — CID 113483426

IUPACN-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
SMILESCCC1CCCC1Nc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-12-6-5-7-14(12)16-13-8-9-15(17-3)11(2)10-13/h8-10,12,14,16H,4-7H2,1-3H3
InChIKeyVCYKPMWEXPDLFS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.99
Rot. Bonds4

About N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline

N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline (PubChem CID 113483426) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
PubChem CID113483426
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline
SMILESCCC1CCCC1Nc1ccc(OC)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-12-6-5-7-14(12)16-13-8-9-15(17-3)11(2)10-13/h8-10,12,14,16H,4-7H2,1-3H3
InChIKeyVCYKPMWEXPDLFS-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.99
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

3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
2-(4-methoxy-3-methylanilino)cyclohexane-1-carbonitrile
CID 62741164
4-[(2-ethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81281868
N-(3-cyclopropylcyclohexyl)-4-methoxy-3-methylaniline
CID 64624416
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
N-(4-methoxy-3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091463
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
N-cyclobutyl-4-ethoxy-3-methylaniline
CID 115884846
2-chloro-4-[(2-ethylcyclohexyl)amino]phenol
CID 107678378
1-N-(3-fluoro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117101
3-bromo-N-(2-ethylcyclohexyl)-5-methoxyaniline
CID 82857766

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline?
The IUPAC name of N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline (CID 113483426) is N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline.
What is the SMILES notation for N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline?
The canonical SMILES for N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline is CCC1CCCC1Nc1ccc(OC)c(C)c1.
What is the InChIKey of N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline?
The InChIKey is VCYKPMWEXPDLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-12-6-5-7-14(12)16-13-8-9-15(17-3)11(2)10-13/h8-10,12,14,16H,4-7H2,1-3H3.
What are the key properties of N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline?
N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline has a molecular weight of 233.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)-4-methoxy-3-methylaniline is sourced from PubChem (CID 113483426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).