N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline

C18H23NO — CID 115942525

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline
SMILESCC(C)(C)OCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-18(2,3)20-14-13-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChIKeyBDPDDDNHVURMKU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.58
Rot. Bonds5

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline (PubChem CID 115942525) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline
PubChem CID115942525
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline
SMILESCC(C)(C)OCCNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-18(2,3)20-14-13-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3
InChIKeyBDPDDDNHVURMKU-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.58
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline (CID 115942525) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline is CC(C)(C)OCCNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline?
The InChIKey is BDPDDDNHVURMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-18(2,3)20-14-13-19-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19H,13-14H2,1-3H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-phenylaniline is sourced from PubChem (CID 115942525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).