1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol

C15H24ClNO4 — CID 104664675

IUPAC1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCC(O)COCC
InChIInChI=1S/C15H24ClNO4/c1-4-17-8-11-6-12(16)7-14(19-3)15(11)21-10-13(18)9-20-5-2/h6-7,13,17-18H,4-5,8-10H2,1-3H3
InChIKeySKQTWMRACXMLHH-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.23
Rot. Bonds10

About 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol

1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol (PubChem CID 104664675) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
PubChem CID104664675
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCC(O)COCC
InChIInChI=1S/C15H24ClNO4/c1-4-17-8-11-6-12(16)7-14(19-3)15(11)21-10-13(18)9-20-5-2/h6-7,13,17-18H,4-5,8-10H2,1-3H3
InChIKeySKQTWMRACXMLHH-UHFFFAOYSA-N
XLogP2.23
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol with MolForge

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Related Compounds

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
3-[4-chloro-2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]propane-1,2-diol
CID 104665187
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471773
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
N-[[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104664687
N-[[5-chloro-2-(cyclopropylmethoxymethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 106929446
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol (CID 104664675) is 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol is CCNCc1cc(Cl)cc(OC)c1OCC(O)COCC.
What is the InChIKey of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol?
The InChIKey is SKQTWMRACXMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-4-17-8-11-6-12(16)7-14(19-3)15(11)21-10-13(18)9-20-5-2/h6-7,13,17-18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol?
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol has a molecular weight of 317.81 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol is sourced from PubChem (CID 104664675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).