2-pentoxy-5-phenylaniline

C17H21NO — CID 2760313

IUPAC2-pentoxy-5-phenylaniline
SMILESCCCCCOc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C17H21NO/c1-2-3-7-12-19-17-11-10-15(13-16(17)18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12,18H2,1H3
InChIKeyAMXKEKVPPZQNHN-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.50
Rot. Bonds6

About 2-pentoxy-5-phenylaniline

2-pentoxy-5-phenylaniline (PubChem CID 2760313) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-pentoxy-5-phenylaniline.

Molecular Properties

Compound Name2-pentoxy-5-phenylaniline
PubChem CID2760313
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-pentoxy-5-phenylaniline
SMILESCCCCCOc1ccc(-c2ccccc2)cc1N
InChIInChI=1S/C17H21NO/c1-2-3-7-12-19-17-11-10-15(13-16(17)18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12,18H2,1H3
InChIKeyAMXKEKVPPZQNHN-UHFFFAOYSA-N
XLogP4.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-5-phenylaniline?
The IUPAC name of 2-pentoxy-5-phenylaniline (CID 2760313) is 2-pentoxy-5-phenylaniline.
What is the SMILES notation for 2-pentoxy-5-phenylaniline?
The canonical SMILES for 2-pentoxy-5-phenylaniline is CCCCCOc1ccc(-c2ccccc2)cc1N.
What is the InChIKey of 2-pentoxy-5-phenylaniline?
The InChIKey is AMXKEKVPPZQNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-3-7-12-19-17-11-10-15(13-16(17)18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12,18H2,1H3.
What are the key properties of 2-pentoxy-5-phenylaniline?
2-pentoxy-5-phenylaniline has a molecular weight of 255.36 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-5-phenylaniline is sourced from PubChem (CID 2760313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).