5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol

C16H27NO2 — CID 103905511

IUPAC5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
SMILESCOc1ccccc1CC(C)NCCCC(C)CO
InChIInChI=1S/C16H27NO2/c1-13(12-18)7-6-10-17-14(2)11-15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyNIMPEEGEEPUQSX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.62
Rot. Bonds9

About 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol

5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol (PubChem CID 103905511) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
PubChem CID103905511
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol
SMILESCOc1ccccc1CC(C)NCCCC(C)CO
InChIInChI=1S/C16H27NO2/c1-13(12-18)7-6-10-17-14(2)11-15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3
InChIKeyNIMPEEGEEPUQSX-UHFFFAOYSA-N
XLogP2.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851
N-[1-(2-methoxyphenyl)propan-2-yl]pentan-1-amine
CID 43757590
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
tert-butyl N-[3-[1-(2-methoxyphenyl)propan-2-ylamino]propyl]carbamate
CID 103781077
1-(2-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)propan-2-amine
CID 43768273
N-[2-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57276686
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 119164539
N-[2-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-2-amine
CID 43767012
3-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylsulfanylbutan-1-ol
CID 103785101
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
2-[1-(2-methoxyphenyl)propan-2-ylamino]-N-propylacetamide
CID 43777802

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol (CID 103905511) is 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol is COc1ccccc1CC(C)NCCCC(C)CO.
What is the InChIKey of 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol?
The InChIKey is NIMPEEGEEPUQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(12-18)7-6-10-17-14(2)11-15-8-4-5-9-16(15)19-3/h4-5,8-9,13-14,17-18H,6-7,10-12H2,1-3H3.
What are the key properties of 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol?
5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)propan-2-ylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103905511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).