4-methyl-N-(2-pentoxyethyl)aniline

C14H23NO — CID 62584140

IUPAC4-methyl-N-(2-pentoxyethyl)aniline
SMILESCCCCCOCCNc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-11-16-12-10-15-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyXTRBBDCGLRRFDP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.61
Rot. Bonds8

About 4-methyl-N-(2-pentoxyethyl)aniline

4-methyl-N-(2-pentoxyethyl)aniline (PubChem CID 62584140) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-methyl-N-(2-pentoxyethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2-pentoxyethyl)aniline
PubChem CID62584140
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-methyl-N-(2-pentoxyethyl)aniline
SMILESCCCCCOCCNc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-11-16-12-10-15-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
InChIKeyXTRBBDCGLRRFDP-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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Related Compounds

4-methyl-N-(2-octoxyethyl)aniline
CID 55196858
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
4-methyl-N-octylaniline
CID 11816856
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
N-(2-butoxyethyl)-3,5-dimethylaniline
CID 61483002
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
N-(12-dodecoxydodecyl)aniline
CID 54486065
N-(2-but-3-enoxyethyl)-4-methylaniline
CID 62599565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pentoxyethyl)aniline?
The IUPAC name of 4-methyl-N-(2-pentoxyethyl)aniline (CID 62584140) is 4-methyl-N-(2-pentoxyethyl)aniline.
What is the SMILES notation for 4-methyl-N-(2-pentoxyethyl)aniline?
The canonical SMILES for 4-methyl-N-(2-pentoxyethyl)aniline is CCCCCOCCNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-pentoxyethyl)aniline?
The InChIKey is XTRBBDCGLRRFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-11-16-12-10-15-14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3.
What are the key properties of 4-methyl-N-(2-pentoxyethyl)aniline?
4-methyl-N-(2-pentoxyethyl)aniline 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 4-methyl-N-(2-pentoxyethyl)aniline is sourced from PubChem (CID 62584140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).