2-(cyclopenten-1-yl)-4-phenylmethoxyaniline

C18H19NO — CID 146295903

IUPAC2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
SMILESNc1ccc(OCc2ccccc2)cc1C1=CCCC1
InChIInChI=1S/C18H19NO/c19-18-11-10-16(12-17(18)15-8-4-5-9-15)20-13-14-6-2-1-3-7-14/h1-3,6-8,10-12H,4-5,9,13,19H2
InChIKeyDBDMDZLBJOVWAS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.42
Rot. Bonds4

About 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline

2-(cyclopenten-1-yl)-4-phenylmethoxyaniline (PubChem CID 146295903) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
PubChem CID146295903
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
SMILESNc1ccc(OCc2ccccc2)cc1C1=CCCC1
InChIInChI=1S/C18H19NO/c19-18-11-10-16(12-17(18)15-8-4-5-9-15)20-13-14-6-2-1-3-7-14/h1-3,6-8,10-12H,4-5,9,13,19H2
InChIKeyDBDMDZLBJOVWAS-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-phenylmethoxyaniline
CID 156839624
4-phenylmethoxy-2-(phenylmethoxymethyl)aniline
CID 58999316
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-(2-methylbutyl)-4-phenylmethoxyaniline
CID 123653214
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387
6-phenylmethoxy-3H-isoindol-1-amine
CID 160873033
4-methyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 23121671
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4-phenylmethoxyaniline
CID 159966727
2-(cyclohexen-1-yl)aniline;rhodium
CID 166447509
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline?
The IUPAC name of 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline (CID 146295903) is 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline.
What is the SMILES notation for 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline?
The canonical SMILES for 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline is Nc1ccc(OCc2ccccc2)cc1C1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline?
The InChIKey is DBDMDZLBJOVWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c19-18-11-10-16(12-17(18)15-8-4-5-9-15)20-13-14-6-2-1-3-7-14/h1-3,6-8,10-12H,4-5,9,13,19H2.
What are the key properties of 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline?
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline has a molecular weight of 265.36 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-4-phenylmethoxyaniline is sourced from PubChem (CID 146295903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).