N-(6-methoxyhexyl)-2-methylaniline

C14H23NO — CID 59493757

IUPACN-(6-methoxyhexyl)-2-methylaniline
SMILESCOCCCCCCNc1ccccc1C
InChIInChI=1S/C14H23NO/c1-13-9-5-6-10-14(13)15-11-7-3-4-8-12-16-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyIFFXPXBVLFYCKA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.61
Rot. Bonds8

About N-(6-methoxyhexyl)-2-methylaniline

N-(6-methoxyhexyl)-2-methylaniline (PubChem CID 59493757) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(6-methoxyhexyl)-2-methylaniline.

Molecular Properties

Compound NameN-(6-methoxyhexyl)-2-methylaniline
PubChem CID59493757
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(6-methoxyhexyl)-2-methylaniline
SMILESCOCCCCCCNc1ccccc1C
InChIInChI=1S/C14H23NO/c1-13-9-5-6-10-14(13)15-11-7-3-4-8-12-16-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
InChIKeyIFFXPXBVLFYCKA-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyhexyl)-2-methylaniline?
The IUPAC name of N-(6-methoxyhexyl)-2-methylaniline (CID 59493757) is N-(6-methoxyhexyl)-2-methylaniline.
What is the SMILES notation for N-(6-methoxyhexyl)-2-methylaniline?
The canonical SMILES for N-(6-methoxyhexyl)-2-methylaniline is COCCCCCCNc1ccccc1C.
What is the InChIKey of N-(6-methoxyhexyl)-2-methylaniline?
The InChIKey is IFFXPXBVLFYCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13-9-5-6-10-14(13)15-11-7-3-4-8-12-16-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N-(6-methoxyhexyl)-2-methylaniline?
N-(6-methoxyhexyl)-2-methylaniline has a molecular weight of 221.34 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyhexyl)-2-methylaniline is sourced from PubChem (CID 59493757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).