5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol

C14H22ClNO3 — CID 62227458

IUPAC5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
SMILESCNCc1cc(Cl)c(OCCCCCO)c(OC)c1
InChIInChI=1S/C14H22ClNO3/c1-16-10-11-8-12(15)14(13(9-11)18-2)19-7-5-3-4-6-17/h8-9,16-17H,3-7,10H2,1-2H3
InChIKeyNECSQXNWDJSONL-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.61
Rot. Bonds9

About 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol

5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol (PubChem CID 62227458) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
PubChem CID62227458
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
SMILESCNCc1cc(Cl)c(OCCCCCO)c(OC)c1
InChIInChI=1S/C14H22ClNO3/c1-16-10-11-8-12(15)14(13(9-11)18-2)19-7-5-3-4-6-17/h8-9,16-17H,3-7,10H2,1-2H3
InChIKeyNECSQXNWDJSONL-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.61
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

6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
1-(3-chloro-5-methoxy-4-octoxyphenyl)-N-methylmethanamine
CID 43276494
6-[2-bromo-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702470
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
1-[3-chloro-5-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-N-methylmethanamine
CID 61492349
N-[(3-chloro-4-hexoxy-5-methoxyphenyl)methyl]propan-1-amine
CID 43276563
5-[(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211747
3-[(3-chloro-5-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10173327
1-[3,5-dimethoxy-4-(3-methoxypropoxy)phenyl]-N-methylmethanamine
CID 54936066
2-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 43276523
1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
1-[3-chloro-5-methoxy-4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61492912

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol?
The IUPAC name of 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol (CID 62227458) is 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol is CNCc1cc(Cl)c(OCCCCCO)c(OC)c1.
What is the InChIKey of 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol?
The InChIKey is NECSQXNWDJSONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-16-10-11-8-12(15)14(13(9-11)18-2)19-7-5-3-4-6-17/h8-9,16-17H,3-7,10H2,1-2H3.
What are the key properties of 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol?
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol has a molecular weight of 287.79 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol is sourced from PubChem (CID 62227458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).