4-(2-phenylmethoxyanilino)butan-1-ol

C17H21NO2 — CID 54803447

IUPAC4-(2-phenylmethoxyanilino)butan-1-ol
SMILESOCCCCNc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-13-7-6-12-18-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15/h1-5,8-11,18-19H,6-7,12-14H2
InChIKeyGJSJSOAMQVNFRS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.45
Rot. Bonds8

About 4-(2-phenylmethoxyanilino)butan-1-ol

4-(2-phenylmethoxyanilino)butan-1-ol (PubChem CID 54803447) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-phenylmethoxyanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-phenylmethoxyanilino)butan-1-ol
PubChem CID54803447
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(2-phenylmethoxyanilino)butan-1-ol
SMILESOCCCCNc1ccccc1OCc1ccccc1
InChIInChI=1S/C17H21NO2/c19-13-7-6-12-18-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15/h1-5,8-11,18-19H,6-7,12-14H2
InChIKeyGJSJSOAMQVNFRS-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-butoxyanilino)butan-1-ol
CID 54803446
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
1-chloro-3-(2-phenylmethoxyanilino)propan-2-ol
CID 168636481
N-(3,4-dimethylphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806037
N-(2-phenylmethoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805607
N-(4-methoxyphenyl)-N'-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54805807
N'-ethyl-N'-phenyl-N-(2-phenylmethoxyphenyl)ethane-1,2-diamine
CID 54806372
6-[2-(5-carboxypentoxy)anilino]hexanoic acid
CID 69475364
2-(2-phenylmethoxyanilino)-N-propan-2-ylacetamide
CID 54828083
N-(6-hydroxyhexyl)-2,5-bis(phenylmethoxy)benzamide
CID 67718157

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyanilino)butan-1-ol?
The IUPAC name of 4-(2-phenylmethoxyanilino)butan-1-ol (CID 54803447) is 4-(2-phenylmethoxyanilino)butan-1-ol.
What is the SMILES notation for 4-(2-phenylmethoxyanilino)butan-1-ol?
The canonical SMILES for 4-(2-phenylmethoxyanilino)butan-1-ol is OCCCCNc1ccccc1OCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyanilino)butan-1-ol?
The InChIKey is GJSJSOAMQVNFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-7-6-12-18-16-10-4-5-11-17(16)20-14-15-8-2-1-3-9-15/h1-5,8-11,18-19H,6-7,12-14H2.
What are the key properties of 4-(2-phenylmethoxyanilino)butan-1-ol?
4-(2-phenylmethoxyanilino)butan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyanilino)butan-1-ol is sourced from PubChem (CID 54803447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).