2-cyclopentyloxy-N-methylaniline

C12H17NO — CID 130903637

IUPAC2-cyclopentyloxy-N-methylaniline
SMILESCNc1ccccc1OC1CCCC1
InChIInChI=1S/C12H17NO/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyGVOZIJNPNVKQHP-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.05
Rot. Bonds3

About 2-cyclopentyloxy-N-methylaniline

2-cyclopentyloxy-N-methylaniline (PubChem CID 130903637) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-methylaniline.

Molecular Properties

Compound Name2-cyclopentyloxy-N-methylaniline
PubChem CID130903637
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-cyclopentyloxy-N-methylaniline
SMILESCNc1ccccc1OC1CCCC1
InChIInChI=1S/C12H17NO/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3
InChIKeyGVOZIJNPNVKQHP-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclobutyl 2-(methylamino)benzoate
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cyclopentyl 2-(methylamino)benzoate
CID 61278607
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668
cyclohexyl 2-(methylamino)benzoate
CID 61278808
3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
methyl 2-cyclohexyloxybenzoate
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CID 70663294

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-methylaniline?
The IUPAC name of 2-cyclopentyloxy-N-methylaniline (CID 130903637) is 2-cyclopentyloxy-N-methylaniline.
What is the SMILES notation for 2-cyclopentyloxy-N-methylaniline?
The canonical SMILES for 2-cyclopentyloxy-N-methylaniline is CNc1ccccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-N-methylaniline?
The InChIKey is GVOZIJNPNVKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-11-8-4-5-9-12(11)14-10-6-2-3-7-10/h4-5,8-10,13H,2-3,6-7H2,1H3.
What are the key properties of 2-cyclopentyloxy-N-methylaniline?
2-cyclopentyloxy-N-methylaniline has a molecular weight of 191.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-methylaniline is sourced from PubChem (CID 130903637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).