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

C15H24ClNO3 — CID 107702314

IUPAC6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cc(Cl)c(OCCCCCCO)c(OC)c1
InChIInChI=1S/C15H24ClNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyVAPKLQRMHAYUCI-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.00
Rot. Bonds10

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

6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol (PubChem CID 107702314) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
PubChem CID107702314
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
SMILESCNCc1cc(Cl)c(OCCCCCCO)c(OC)c1
InChIInChI=1S/C15H24ClNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3
InChIKeyVAPKLQRMHAYUCI-UHFFFAOYSA-N
XLogP3.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.00
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

5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
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 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The IUPAC name of 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol (CID 107702314) is 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The canonical SMILES for 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol is CNCc1cc(Cl)c(OCCCCCCO)c(OC)c1.
What is the InChIKey of 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
The InChIKey is VAPKLQRMHAYUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-17-11-12-9-13(16)15(14(10-12)19-2)20-8-6-4-3-5-7-18/h9-10,17-18H,3-8,11H2,1-2H3.
What are the key properties of 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol?
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol has a molecular weight of 301.81 g/mol, XLogP of 3.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol is sourced from PubChem (CID 107702314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).