4-cycloheptyloxy-N-methylaniline

C14H21NO — CID 82930112

IUPAC4-cycloheptyloxy-N-methylaniline
SMILESCNc1ccc(OC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-15-12-8-10-14(11-9-12)16-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3
InChIKeyVENSINLGZPILRS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.83
Rot. Bonds3

About 4-cycloheptyloxy-N-methylaniline

4-cycloheptyloxy-N-methylaniline (PubChem CID 82930112) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-cycloheptyloxy-N-methylaniline.

Molecular Properties

Compound Name4-cycloheptyloxy-N-methylaniline
PubChem CID82930112
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-cycloheptyloxy-N-methylaniline
SMILESCNc1ccc(OC2CCCCCC2)cc1
InChIInChI=1S/C14H21NO/c1-15-12-8-10-14(11-9-12)16-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3
InChIKeyVENSINLGZPILRS-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.83
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

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CID 110839617
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(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
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1-bromo-4-cyclopentyloxybenzene
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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-N-methylaniline?
The IUPAC name of 4-cycloheptyloxy-N-methylaniline (CID 82930112) is 4-cycloheptyloxy-N-methylaniline.
What is the SMILES notation for 4-cycloheptyloxy-N-methylaniline?
The canonical SMILES for 4-cycloheptyloxy-N-methylaniline is CNc1ccc(OC2CCCCCC2)cc1.
What is the InChIKey of 4-cycloheptyloxy-N-methylaniline?
The InChIKey is VENSINLGZPILRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-15-12-8-10-14(11-9-12)16-13-6-4-2-3-5-7-13/h8-11,13,15H,2-7H2,1H3.
What are the key properties of 4-cycloheptyloxy-N-methylaniline?
4-cycloheptyloxy-N-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-N-methylaniline is sourced from PubChem (CID 82930112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).