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

C13H21Cl2NO2 — CID 15944906

IUPACN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride
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
InChIKeyQRRYWLDTLCDGCL-UHFFFAOYSA-N
MW294.22 g/mol
LogP3.67
Rot. Bonds6

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

N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride (PubChem CID 15944906) has the molecular formula C13H21Cl2NO2 and a molecular weight of 294.22 g/mol. Its IUPAC name is N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride
PubChem CID15944906
Molecular FormulaC13H21Cl2NO2
Molecular Weight294.22 g/mol
Exact Mass293.09
IUPAC NameN-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride
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
InChIKeyQRRYWLDTLCDGCL-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride (CID 15944906) is N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride 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;hydrochloride?
The InChIKey is QRRYWLDTLCDGCL-UHFFFAOYSA-N. 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.
What are the key properties of N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride?
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine;hydrochloride has a molecular weight of 294.22 g/mol, XLogP of 3.67, 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;hydrochloride is sourced from PubChem (CID 15944906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).