N-(3-methoxypropyl)-2-phenoxyaniline

C16H19NO2 — CID 54935925

IUPACN-(3-methoxypropyl)-2-phenoxyaniline
SMILESCOCCCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H19NO2/c1-18-13-7-12-17-15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKeyXBWPCPNQSLTTTD-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.93
Rot. Bonds7

About N-(3-methoxypropyl)-2-phenoxyaniline

N-(3-methoxypropyl)-2-phenoxyaniline (PubChem CID 54935925) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-phenoxyaniline.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-phenoxyaniline
PubChem CID54935925
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-(3-methoxypropyl)-2-phenoxyaniline
SMILESCOCCCNc1ccccc1Oc1ccccc1
InChIInChI=1S/C16H19NO2/c1-18-13-7-12-17-15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKeyXBWPCPNQSLTTTD-UHFFFAOYSA-N
XLogP3.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)phenoxy]aniline
CID 11120659
N-(2-methoxyethyl)-3-(2-phenoxyanilino)propanamide
CID 109015125
2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
N-[2-(2-phenoxyanilino)ethyl]acetamide
CID 103604146
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
CID 109228165
N-but-3-ynyl-2-phenoxyaniline
CID 63657464
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
N-(3-methoxypropyl)-2-methylsulfanylaniline
CID 103696970
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
N-[3-(2-methoxyethoxy)propyl]-2-(trifluoromethoxy)aniline
CID 103409328
5-(3-methoxypropylamino)-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184521

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-phenoxyaniline?
The IUPAC name of N-(3-methoxypropyl)-2-phenoxyaniline (CID 54935925) is N-(3-methoxypropyl)-2-phenoxyaniline.
What is the SMILES notation for N-(3-methoxypropyl)-2-phenoxyaniline?
The canonical SMILES for N-(3-methoxypropyl)-2-phenoxyaniline is COCCCNc1ccccc1Oc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-phenoxyaniline?
The InChIKey is XBWPCPNQSLTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-13-7-12-17-15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3.
What are the key properties of N-(3-methoxypropyl)-2-phenoxyaniline?
N-(3-methoxypropyl)-2-phenoxyaniline has a molecular weight of 257.33 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-phenoxyaniline is sourced from PubChem (CID 54935925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).