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

C14H22ClNO3 — CID 104664704

IUPAC1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCC(C)(C)O
InChIInChI=1S/C14H22ClNO3/c1-5-16-8-10-6-11(15)7-12(18-4)13(10)19-9-14(2,3)17/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeyCYTVUNDEVXNTIH-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.61
Rot. Bonds7

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

1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol (PubChem CID 104664704) has the molecular formula C14H22ClNO3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
PubChem CID104664704
Molecular FormulaC14H22ClNO3
Molecular Weight287.79 g/mol
Exact Mass287.13
IUPAC Name1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
SMILESCCNCc1cc(Cl)cc(OC)c1OCC(C)(C)O
InChIInChI=1S/C14H22ClNO3/c1-5-16-8-10-6-11(15)7-12(18-4)13(10)19-9-14(2,3)17/h6-7,16-17H,5,8-9H2,1-4H3
InChIKeyCYTVUNDEVXNTIH-UHFFFAOYSA-N
XLogP2.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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

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Related Compounds

N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941
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
4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-3-ethoxypropan-2-ol
CID 104664675
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-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664701
N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 104664579

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol (CID 104664704) is 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol is CCNCc1cc(Cl)cc(OC)c1OCC(C)(C)O.
What is the InChIKey of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
The InChIKey is CYTVUNDEVXNTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO3/c1-5-16-8-10-6-11(15)7-12(18-4)13(10)19-9-14(2,3)17/h6-7,16-17H,5,8-9H2,1-4H3.
What are the key properties of 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol?
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol has a molecular weight of 287.79 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 104664704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).