N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride

C13H20Cl2NO2- — CID 53347083

IUPACN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
SMILESCCNCc1cc(Cl)cc(OC)c1OC(C)C.[Cl-]
InChIInChI=1S/C13H20ClNO2.ClH/c1-5-15-8-10-6-11(14)7-12(16-4)13(10)17-9(2)3;/h6-7,9,15H,5,8H2,1-4H3;1H/p-1
InChIKeyQRRYWLDTLCDGCL-UHFFFAOYSA-M
MW293.21 g/mol
LogP0.25
Rot. Bonds6

About N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride

N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride (PubChem CID 53347083) has the molecular formula C13H20Cl2NO2- and a molecular weight of 293.21 g/mol. Its IUPAC name is N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride.

Molecular Properties

Compound NameN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
PubChem CID53347083
Molecular FormulaC13H20Cl2NO2-
Molecular Weight293.21 g/mol
Exact Mass292.09
IUPAC NameN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
SMILESCCNCc1cc(Cl)cc(OC)c1OC(C)C.[Cl-]
InChIInChI=1S/C13H20ClNO2.ClH/c1-5-15-8-10-6-11(14)7-12(16-4)13(10)17-9(2)3;/h6-7,9,15H,5,8H2,1-4H3;1H/p-1
InChIKeyQRRYWLDTLCDGCL-UHFFFAOYSA-M
XLogP0.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]butan-2-ol
CID 104664581
1-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 104664704
2-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]-N,N-dimethylethanamine
CID 104664745
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508
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
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
3-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)propan-1-amine
CID 117398109
N-[[5-chloro-3-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]ethanamine
CID 103032941

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride?
The IUPAC name of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride (CID 53347083) is N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride.
What is the SMILES notation for N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride?
The canonical SMILES for N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride is CCNCc1cc(Cl)cc(OC)c1OC(C)C.[Cl-].
What is the InChIKey of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride?
The InChIKey is QRRYWLDTLCDGCL-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20ClNO2.ClH/c1-5-15-8-10-6-11(14)7-12(16-4)13(10)17-9(2)3;/h6-7,9,15H,5,8H2,1-4H3;1H/p-1.
What are the key properties of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride?
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride has a molecular weight of 293.21 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride is sourced from PubChem (CID 53347083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).