4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

C17H22N2O — CID 62132218

IUPAC4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-19-12-4-5-15(19)13-18-14-8-10-17(11-9-14)20-16-6-2-3-7-16/h4-5,8-12,16,18H,2-3,6-7,13H2,1H3
InChIKeyRHTYYXIUIGLVQE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.96
Rot. Bonds5

About 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 62132218) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID62132218
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCn1cccc1CNc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-19-12-4-5-15(19)13-18-14-8-10-17(11-9-14)20-16-6-2-3-7-16/h4-5,8-12,16,18H,2-3,6-7,13H2,1H3
InChIKeyRHTYYXIUIGLVQE-UHFFFAOYSA-N
XLogP3.96
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 62132218) is 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is Cn1cccc1CNc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is RHTYYXIUIGLVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-12-4-5-15(19)13-18-14-8-10-17(11-9-14)20-16-6-2-3-7-16/h4-5,8-12,16,18H,2-3,6-7,13H2,1H3.
What are the key properties of 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 62132218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).