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

C14H22ClNO3 — CID 104664581

IUPAC4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCCC(C)O
InChIInChI=1S/C14H22ClNO3/c1-4-16-9-11-7-12(15)8-13(18-3)14(11)19-6-5-10(2)17/h7-8,10,16-17H,4-6,9H2,1-3H3
InChIKeyLFLZVDBTNQOOQU-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.61
Rot. Bonds8

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

4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol (PubChem CID 104664581) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol.

Molecular Properties

Compound Name4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
PubChem CID104664581
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCCC(C)O
InChIInChI=1S/C14H22ClNO3/c1-4-16-9-11-7-12(15)8-13(18-3)14(11)19-6-5-10(2)17/h7-8,10,16-17H,4-6,9H2,1-3H3
InChIKeyLFLZVDBTNQOOQU-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

4-[4-chloro-2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]butan-2-ol
CID 104664940
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
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
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
CID 104664675
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
3-[4-chloro-2-methoxy-6-[(2-methylpropylamino)methyl]phenoxy]propanamide
CID 104665105
N-[[5-chloro-3-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664701
N-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]prop-2-yn-1-amine
CID 94074189

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The IUPAC name of 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol (CID 104664581) is 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol.
What is the SMILES notation for 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The canonical SMILES for 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol is CCNCc1cc(Cl)cc(OC)c1OCCC(C)O.
What is the InChIKey of 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
The InChIKey is LFLZVDBTNQOOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-4-16-9-11-7-12(15)8-13(18-3)14(11)19-6-5-10(2)17/h7-8,10,16-17H,4-6,9H2,1-3H3.
What are the key properties of 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol?
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol has a molecular weight of 287.79 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol is sourced from PubChem (CID 104664581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).