6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol

C15H25NO2 — CID 103737738

IUPAC6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
SMILESCOc1cccc(CN(C)CCCCCCO)c1
InChIInChI=1S/C15H25NO2/c1-16(10-5-3-4-6-11-17)13-14-8-7-9-15(12-14)18-2/h7-9,12,17H,3-6,10-11,13H2,1-2H3
InChIKeyNCQDAVSVVKHHRV-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.68
Rot. Bonds9

About 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol

6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol (PubChem CID 103737738) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
PubChem CID103737738
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
SMILESCOc1cccc(CN(C)CCCCCCO)c1
InChIInChI=1S/C15H25NO2/c1-16(10-5-3-4-6-11-17)13-14-8-7-9-15(12-14)18-2/h7-9,12,17H,3-6,10-11,13H2,1-2H3
InChIKeyNCQDAVSVVKHHRV-UHFFFAOYSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
N'-[(3-methoxyphenyl)methyl]-N',2,2-trimethylpentane-1,5-diamine
CID 65253981
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-[(3-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 78907088
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
CID 71105768
2-[(3-methoxyphenyl)methyl-propylamino]ethanol
CID 60692004
4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
CID 115217660

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol?
The IUPAC name of 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol (CID 103737738) is 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol?
The canonical SMILES for 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol is COc1cccc(CN(C)CCCCCCO)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol?
The InChIKey is NCQDAVSVVKHHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-16(10-5-3-4-6-11-17)13-14-8-7-9-15(12-14)18-2/h7-9,12,17H,3-6,10-11,13H2,1-2H3.
What are the key properties of 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol?
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol is sourced from PubChem (CID 103737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).