2-(4-methyl-1-phenylpentoxy)aniline

C18H23NO — CID 139610143

IUPAC2-(4-methyl-1-phenylpentoxy)aniline
SMILESCC(C)CCC(Oc1ccccc1N)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)12-13-17(15-8-4-3-5-9-15)20-18-11-7-6-10-16(18)19/h3-11,14,17H,12-13,19H2,1-2H3
InChIKeyIRVMWOBVZLLYCR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-methyl-1-phenylpentoxy)aniline

2-(4-methyl-1-phenylpentoxy)aniline (PubChem CID 139610143) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-methyl-1-phenylpentoxy)aniline.

Molecular Properties

Compound Name2-(4-methyl-1-phenylpentoxy)aniline
PubChem CID139610143
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(4-methyl-1-phenylpentoxy)aniline
SMILESCC(C)CCC(Oc1ccccc1N)c1ccccc1
InChIInChI=1S/C18H23NO/c1-14(2)12-13-17(15-8-4-3-5-9-15)20-18-11-7-6-10-16(18)19/h3-11,14,17H,12-13,19H2,1-2H3
InChIKeyIRVMWOBVZLLYCR-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-phenylpentoxy)aniline?
The IUPAC name of 2-(4-methyl-1-phenylpentoxy)aniline (CID 139610143) is 2-(4-methyl-1-phenylpentoxy)aniline.
What is the SMILES notation for 2-(4-methyl-1-phenylpentoxy)aniline?
The canonical SMILES for 2-(4-methyl-1-phenylpentoxy)aniline is CC(C)CCC(Oc1ccccc1N)c1ccccc1.
What is the InChIKey of 2-(4-methyl-1-phenylpentoxy)aniline?
The InChIKey is IRVMWOBVZLLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)12-13-17(15-8-4-3-5-9-15)20-18-11-7-6-10-16(18)19/h3-11,14,17H,12-13,19H2,1-2H3.
What are the key properties of 2-(4-methyl-1-phenylpentoxy)aniline?
2-(4-methyl-1-phenylpentoxy)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-phenylpentoxy)aniline is sourced from PubChem (CID 139610143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).