5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol

C14H23NO3 — CID 17206697

IUPAC5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1cccc(CNCCCCCO)c1OC
InChIInChI=1S/C14H23NO3/c1-17-13-8-6-7-12(14(13)18-2)11-15-9-4-3-5-10-16/h6-8,15-16H,3-5,9-11H2,1-2H3
InChIKeyOVAAXUJCHNWQCO-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.96
Rot. Bonds9

About 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol

5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol (PubChem CID 17206697) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
PubChem CID17206697
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1cccc(CNCCCCCO)c1OC
InChIInChI=1S/C14H23NO3/c1-17-13-8-6-7-12(14(13)18-2)11-15-9-4-3-5-10-16/h6-8,15-16H,3-5,9-11H2,1-2H3
InChIKeyOVAAXUJCHNWQCO-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.96
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-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
CID 82364656
CID 59317356
CID 59317356
N',N'-dibutyl-N-[(2,3-dimethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214645
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(2,3-dimethoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632916
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol (CID 17206697) is 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol is COc1cccc(CNCCCCCO)c1OC.
What is the InChIKey of 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is OVAAXUJCHNWQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-13-8-6-7-12(14(13)18-2)11-15-9-4-3-5-10-16/h6-8,15-16H,3-5,9-11H2,1-2H3.
What are the key properties of 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol?
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 17206697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).