6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol

C16H27NO2 — CID 107702416

IUPAC6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
SMILESCCC(NC)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-3-16(17-2)14-8-10-15(11-9-14)19-13-7-5-4-6-12-18/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyBMDCWPIKMJSIFY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds10

About 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol

6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol (PubChem CID 107702416) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
PubChem CID107702416
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
SMILESCCC(NC)c1ccc(OCCCCCCO)cc1
InChIInChI=1S/C16H27NO2/c1-3-16(17-2)14-8-10-15(11-9-14)19-13-7-5-4-6-12-18/h8-11,16-18H,3-7,12-13H2,1-2H3
InChIKeyBMDCWPIKMJSIFY-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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

6-[4-[(1R)-1-hydroxypropyl]phenoxy]hexan-1-ol
CID 107704156
methyl 4-[4-[1-(methylamino)propyl]phenoxy]butanoate
CID 60889536
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
N-methyl-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106449842
5-[4-[(1S)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78930532
5-[4-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 63364105
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol (CID 107702416) is 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol is CCC(NC)c1ccc(OCCCCCCO)cc1.
What is the InChIKey of 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol?
The InChIKey is BMDCWPIKMJSIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-16(17-2)14-8-10-15(11-9-14)19-13-7-5-4-6-12-18/h8-11,16-18H,3-7,12-13H2,1-2H3.
What are the key properties of 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol?
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 107702416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).