4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

C16H24N2O — CID 79543661

IUPAC4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCOc1ccc(NC2CCCC2C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-19-13-9-7-12(8-10-13)18-16-5-2-4-14(16)15-6-3-11-17-15/h7-10,14-18H,2-6,11H2,1H3
InChIKeyOMYIPUUGUYPWCG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.03
Rot. Bonds4

About 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline

4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (PubChem CID 79543661) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
PubChem CID79543661
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
SMILESCOc1ccc(NC2CCCC2C2CCCN2)cc1
InChIInChI=1S/C16H24N2O/c1-19-13-9-7-12(8-10-13)18-16-5-2-4-14(16)15-6-3-11-17-15/h7-10,14-18H,2-6,11H2,1H3
InChIKeyOMYIPUUGUYPWCG-UHFFFAOYSA-N
XLogP3.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
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

3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
4-fluoro-3-methoxy-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 114838335
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
4-nitro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536425
3-bromo-4-fluoro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 104775959
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264
N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indazol-5-amine
CID 79536417
N-[(1R,2R)-2-fluorocyclopentyl]-4-methoxyaniline
CID 126847817
3-fluoro-5-methyl-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 79543612

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The IUPAC name of 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline (CID 79543661) is 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline.
What is the SMILES notation for 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The canonical SMILES for 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is COc1ccc(NC2CCCC2C2CCCN2)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
The InChIKey is OMYIPUUGUYPWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-13-9-7-12(8-10-13)18-16-5-2-4-14(16)15-6-3-11-17-15/h7-10,14-18H,2-6,11H2,1H3.
What are the key properties of 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline?
4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline has a molecular weight of 260.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyrrolidin-2-ylcyclopentyl)aniline is sourced from PubChem (CID 79543661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).