5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol

C16H27NO3 — CID 62228603

IUPAC5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
SMILESCOc1cccc(CNC(C)C)c1OCCCCCO
InChIInChI=1S/C16H27NO3/c1-13(2)17-12-14-8-7-9-15(19-3)16(14)20-11-6-4-5-10-18/h7-9,13,17-18H,4-6,10-12H2,1-3H3
InChIKeyUABFRXBNVICAFQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.73
Rot. Bonds10

About 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol

5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol (PubChem CID 62228603) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
PubChem CID62228603
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
SMILESCOc1cccc(CNC(C)C)c1OCCCCCO
InChIInChI=1S/C16H27NO3/c1-13(2)17-12-14-8-7-9-15(19-3)16(14)20-11-6-4-5-10-18/h7-9,13,17-18H,4-6,10-12H2,1-3H3
InChIKeyUABFRXBNVICAFQ-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
6-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702816
6-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]hexan-1-ol
CID 107702494
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol (CID 62228603) is 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol is COc1cccc(CNC(C)C)c1OCCCCCO.
What is the InChIKey of 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol?
The InChIKey is UABFRXBNVICAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13(2)17-12-14-8-7-9-15(19-3)16(14)20-11-6-4-5-10-18/h7-9,13,17-18H,4-6,10-12H2,1-3H3.
What are the key properties of 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol?
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.73, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 62228603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).