1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol

C19H31NO2 — CID 153216457

IUPAC1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
SMILESCNCCCc1cccc(OCC2(O)CCCCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-20-14-8-10-17-9-7-11-18(15-17)22-16-19(21)12-5-3-2-4-6-13-19/h7,9,11,15,20-21H,2-6,8,10,12-14,16H2,1H3
InChIKeyWMUNYRIBCZNZMY-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.69
Rot. Bonds7

About 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol

1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol (PubChem CID 153216457) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol.

Molecular Properties

Compound Name1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
PubChem CID153216457
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol
SMILESCNCCCc1cccc(OCC2(O)CCCCCCC2)c1
InChIInChI=1S/C19H31NO2/c1-20-14-8-10-17-9-7-11-18(15-17)22-16-19(21)12-5-3-2-4-6-13-19/h7,9,11,15,20-21H,2-6,8,10,12-14,16H2,1H3
InChIKeyWMUNYRIBCZNZMY-UHFFFAOYSA-N
XLogP3.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.69
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

1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
3-[3-(cyclopentylmethoxy)phenyl]-N-methylpropan-1-amine
CID 170001159
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 119316887
2-(3-ethylphenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866142
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propan-1-amine
CID 71018372
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol?
The IUPAC name of 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol (CID 153216457) is 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol.
What is the SMILES notation for 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol?
The canonical SMILES for 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol is CNCCCc1cccc(OCC2(O)CCCCCCC2)c1.
What is the InChIKey of 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol?
The InChIKey is WMUNYRIBCZNZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-20-14-8-10-17-9-7-11-18(15-17)22-16-19(21)12-5-3-2-4-6-13-19/h7,9,11,15,20-21H,2-6,8,10,12-14,16H2,1H3.
What are the key properties of 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol?
1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol has a molecular weight of 305.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(methylamino)propyl]phenoxy]methyl]cyclooctan-1-ol is sourced from PubChem (CID 153216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).