6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol

C16H27NO3 — CID 107702428

IUPAC6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
SMILESCCCOc1ccc(CN)c(OCCCCCCO)c1
InChIInChI=1S/C16H27NO3/c1-2-10-19-15-8-7-14(13-17)16(12-15)20-11-6-4-3-5-9-18/h7-8,12,18H,2-6,9-11,13,17H2,1H3
InChIKeyWKXWAEGZYVHSOK-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.87
Rot. Bonds11

About 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol

6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol (PubChem CID 107702428) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
PubChem CID107702428
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
SMILESCCCOc1ccc(CN)c(OCCCCCCO)c1
InChIInChI=1S/C16H27NO3/c1-2-10-19-15-8-7-14(13-17)16(12-15)20-11-6-4-3-5-9-18/h7-8,12,18H,2-6,9-11,13,17H2,1H3
InChIKeyWKXWAEGZYVHSOK-UHFFFAOYSA-N
XLogP2.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
[2-(2-methylsulfonylethoxy)-4-propoxyphenyl]methanamine
CID 60915924
(2,4-dipentoxyphenyl)methanol
CID 54794877
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
1-(chloromethyl)-2-heptoxy-4-propoxybenzene
CID 43472305
(2-but-2-ynoxy-4-propoxyphenyl)methanamine
CID 55057837
[2-[(E)-3-chloro-2-methylprop-2-enoxy]-4-propoxyphenyl]methanamine
CID 106436827
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
(2-butan-2-yloxy-4-propoxyphenyl)methanamine
CID 43472107

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol?
The IUPAC name of 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol (CID 107702428) is 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol is CCCOc1ccc(CN)c(OCCCCCCO)c1.
What is the InChIKey of 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol?
The InChIKey is WKXWAEGZYVHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-10-19-15-8-7-14(13-17)16(12-15)20-11-6-4-3-5-9-18/h7-8,12,18H,2-6,9-11,13,17H2,1H3.
What are the key properties of 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol?
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol is sourced from PubChem (CID 107702428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).