6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol

C15H25NO2 — CID 106802333

IUPAC6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
SMILESCCC(O)CCCN(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-4-14(17)9-7-11-16(2)12-13-8-5-6-10-15(13)18-3/h5-6,8,10,14,17H,4,7,9,11-12H2,1-3H3
InChIKeySZCLBSXKTNRTKR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds8

About 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol

6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol (PubChem CID 106802333) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
PubChem CID106802333
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
SMILESCCC(O)CCCN(C)Cc1ccccc1OC
InChIInChI=1S/C15H25NO2/c1-4-14(17)9-7-11-16(2)12-13-8-5-6-10-15(13)18-3/h5-6,8,10,14,17H,4,7,9,11-12H2,1-3H3
InChIKeySZCLBSXKTNRTKR-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
6-(2-fluoro-3-methoxyphenyl)hexan-3-ol
CID 104795145
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol?
The IUPAC name of 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol (CID 106802333) is 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol.
What is the SMILES notation for 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol?
The canonical SMILES for 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol is CCC(O)CCCN(C)Cc1ccccc1OC.
What is the InChIKey of 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol?
The InChIKey is SZCLBSXKTNRTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-14(17)9-7-11-16(2)12-13-8-5-6-10-15(13)18-3/h5-6,8,10,14,17H,4,7,9,11-12H2,1-3H3.
What are the key properties of 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol?
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol is sourced from PubChem (CID 106802333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).