N-cyclopentyl-4-methoxy-2-methylaniline

C13H19NO — CID 62867512

IUPACN-cyclopentyl-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-9-12(15-2)7-8-13(10)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyNRBDONKGZJNEEC-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.36
Rot. Bonds3

About N-cyclopentyl-4-methoxy-2-methylaniline

N-cyclopentyl-4-methoxy-2-methylaniline (PubChem CID 62867512) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-cyclopentyl-4-methoxy-2-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-4-methoxy-2-methylaniline
PubChem CID62867512
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-cyclopentyl-4-methoxy-2-methylaniline
SMILESCOc1ccc(NC2CCCC2)c(C)c1
InChIInChI=1S/C13H19NO/c1-10-9-12(15-2)7-8-13(10)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3
InChIKeyNRBDONKGZJNEEC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.36
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

N-cyclohexyl-4-methoxy-2-methylaniline
CID 62867173
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
N-(4-methoxy-2-methylphenyl)-1-oxothian-4-amine
CID 62871144
N-(4-tert-butylcyclohexyl)-4-methoxy-2-methylaniline
CID 63477895
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
N-cyclobutyl-2-methyl-4-propoxyaniline
CID 115884959
N-(2-ethylcyclohexyl)-4-methoxy-2-methylaniline
CID 63862489
2-(cyclohexylamino)-5-methoxybenzoic acid
CID 82932893
N-(4-methoxy-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62871140
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
CID 63451354

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methoxy-2-methylaniline?
The IUPAC name of N-cyclopentyl-4-methoxy-2-methylaniline (CID 62867512) is N-cyclopentyl-4-methoxy-2-methylaniline.
What is the SMILES notation for N-cyclopentyl-4-methoxy-2-methylaniline?
The canonical SMILES for N-cyclopentyl-4-methoxy-2-methylaniline is COc1ccc(NC2CCCC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-4-methoxy-2-methylaniline?
The InChIKey is NRBDONKGZJNEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-9-12(15-2)7-8-13(10)14-11-5-3-4-6-11/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-4-methoxy-2-methylaniline?
N-cyclopentyl-4-methoxy-2-methylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methoxy-2-methylaniline is sourced from PubChem (CID 62867512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).