6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol

C16H27NO2 — CID 107703257

IUPAC6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
SMILESCc1ccc(OCC(C)NCCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-14-7-9-16(10-8-14)19-13-15(2)17-11-5-3-4-6-12-18/h7-10,15,17-18H,3-6,11-13H2,1-2H3
InChIKeyOQWZYCLICCCLQV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds10

About 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol

6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol (PubChem CID 107703257) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
PubChem CID107703257
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
SMILESCc1ccc(OCC(C)NCCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-14-7-9-16(10-8-14)19-13-15(2)17-11-5-3-4-6-12-18/h7-10,15,17-18H,3-6,11-13H2,1-2H3
InChIKeyOQWZYCLICCCLQV-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
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

2-[1-(4-methylphenoxy)propan-2-ylamino]ethanol
CID 61166956
N',N'-dimethyl-N-[1-(4-methylphenoxy)propan-2-yl]propane-1,3-diamine
CID 114525099
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-(2-ethylsulfonylethyl)-1-(4-methylphenoxy)propan-2-amine
CID 61168340
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
ethyl 3-[1-(4-methylphenoxy)propan-2-ylamino]propanoate
CID 61168707
N'-hydroxy-2,2-dimethyl-4-[1-(4-methylphenoxy)propan-2-ylamino]butanimidamide
CID 77062218
3-[[1-(4-methylphenoxy)propan-2-ylamino]methyl]pentan-3-ol
CID 114492877
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356672
4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butan-1-ol
CID 81356259
(E)-4-chloro-N-[1-(4-methylphenoxy)propan-2-yl]but-2-en-1-amine
CID 81430543

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol?
The IUPAC name of 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol (CID 107703257) is 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol.
What is the SMILES notation for 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol?
The canonical SMILES for 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol is Cc1ccc(OCC(C)NCCCCCCO)cc1.
What is the InChIKey of 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol?
The InChIKey is OQWZYCLICCCLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-14-7-9-16(10-8-14)19-13-15(2)17-11-5-3-4-6-12-18/h7-10,15,17-18H,3-6,11-13H2,1-2H3.
What are the key properties of 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol?
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol is sourced from PubChem (CID 107703257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).