6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol

C16H26ClNO3 — CID 107702870

IUPAC6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCCCCCCO
InChIInChI=1S/C16H26ClNO3/c1-3-18-12-13-10-14(17)11-15(20-2)16(13)21-9-7-5-4-6-8-19/h10-11,18-19H,3-9,12H2,1-2H3
InChIKeyXQFFLUUXMFCYFS-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.39
Rot. Bonds11

About 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol

6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol (PubChem CID 107702870) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
PubChem CID107702870
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCCCCCCO
InChIInChI=1S/C16H26ClNO3/c1-3-18-12-13-10-14(17)11-15(20-2)16(13)21-9-7-5-4-6-8-19/h10-11,18-19H,3-9,12H2,1-2H3
InChIKeyXQFFLUUXMFCYFS-UHFFFAOYSA-N
XLogP3.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.39
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

2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
N-[[5-chloro-3-methoxy-2-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 106450715
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
5-[(5-chloro-3-methoxy-2-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211831
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074189
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]heptan-1-amine
CID 17157729

Frequently Asked Questions

What is the IUPAC name of 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol?
The IUPAC name of 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol (CID 107702870) is 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol is CCNCc1cc(Cl)cc(OC)c1OCCCCCCO.
What is the InChIKey of 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol?
The InChIKey is XQFFLUUXMFCYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-3-18-12-13-10-14(17)11-15(20-2)16(13)21-9-7-5-4-6-8-19/h10-11,18-19H,3-9,12H2,1-2H3.
What are the key properties of 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol?
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol has a molecular weight of 315.84 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol is sourced from PubChem (CID 107702870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).