6-(3-phenoxyanilino)hexan-1-ol

C18H23NO2 — CID 103867980

IUPAC6-(3-phenoxyanilino)hexan-1-ol
SMILESOCCCCCCNc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c20-14-7-2-1-6-13-19-16-9-8-12-18(15-16)21-17-10-4-3-5-11-17/h3-5,8-12,15,19-20H,1-2,6-7,13-14H2
InChIKeyGAUPPTALELZXPY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.44
Rot. Bonds9

About 6-(3-phenoxyanilino)hexan-1-ol

6-(3-phenoxyanilino)hexan-1-ol (PubChem CID 103867980) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(3-phenoxyanilino)hexan-1-ol.

Molecular Properties

Compound Name6-(3-phenoxyanilino)hexan-1-ol
PubChem CID103867980
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name6-(3-phenoxyanilino)hexan-1-ol
SMILESOCCCCCCNc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H23NO2/c20-14-7-2-1-6-13-19-16-9-8-12-18(15-16)21-17-10-4-3-5-11-17/h3-5,8-12,15,19-20H,1-2,6-7,13-14H2
InChIKeyGAUPPTALELZXPY-UHFFFAOYSA-N
XLogP4.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.44
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

N-heptyl-3-phenoxyaniline
CID 63455448
10-anilinodecan-1-ol
CID 10955954
5-(3-bromoanilino)pentan-1-ol
CID 62227140
5-(3-iodoanilino)pentan-1-ol
CID 62228446
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
3-[3-(3-aminopropylamino)phenoxy]propan-1-ol
CID 117097601
N,N-dimethyl-3-(3-phenoxyanilino)propanamide
CID 61367393
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
[3-(2-hydroxyethylamino)phenoxy]boronic acid
CID 151039320
N-hexyl-4-phenoxyaniline
CID 28876890

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenoxyanilino)hexan-1-ol?
The IUPAC name of 6-(3-phenoxyanilino)hexan-1-ol (CID 103867980) is 6-(3-phenoxyanilino)hexan-1-ol.
What is the SMILES notation for 6-(3-phenoxyanilino)hexan-1-ol?
The canonical SMILES for 6-(3-phenoxyanilino)hexan-1-ol is OCCCCCCNc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 6-(3-phenoxyanilino)hexan-1-ol?
The InChIKey is GAUPPTALELZXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-14-7-2-1-6-13-19-16-9-8-12-18(15-16)21-17-10-4-3-5-11-17/h3-5,8-12,15,19-20H,1-2,6-7,13-14H2.
What are the key properties of 6-(3-phenoxyanilino)hexan-1-ol?
6-(3-phenoxyanilino)hexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxyanilino)hexan-1-ol is sourced from PubChem (CID 103867980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).