6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol

C16H27NO3 — CID 107702400

IUPAC6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
SMILESCNC(C)c1ccc(OCCCCCCO)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-13(17-2)14-8-9-15(16(12-14)19-3)20-11-7-5-4-6-10-18/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3
InChIKeyBKHATAVZDXXADO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds10

About 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol

6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol (PubChem CID 107702400) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
PubChem CID107702400
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
SMILESCNC(C)c1ccc(OCCCCCCO)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-13(17-2)14-8-9-15(16(12-14)19-3)20-11-7-5-4-6-10-18/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3
InChIKeyBKHATAVZDXXADO-UHFFFAOYSA-N
XLogP2.91
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
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

5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]-N-methylethanamine
CID 54935544
5-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 114216751
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-(4-but-3-ynoxy-3-methoxyphenyl)-N-methylethanamine
CID 60881368
1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]-N-methylethanamine
CID 61493746
methyl 2-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]acetate
CID 60882110
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
1-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]-2-methylbutan-2-ol
CID 114491704
1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-N-methylethanamine
CID 43279425

Frequently Asked Questions

What is the IUPAC name of 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol (CID 107702400) is 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol is CNC(C)c1ccc(OCCCCCCO)c(OC)c1.
What is the InChIKey of 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol?
The InChIKey is BKHATAVZDXXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(17-2)14-8-9-15(16(12-14)19-3)20-11-7-5-4-6-10-18/h8-9,12-13,17-18H,4-7,10-11H2,1-3H3.
What are the key properties of 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol?
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 107702400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).