1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride

C12H19Cl2NO2 — CID 2960537

IUPAC1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)cc(OC)c1OC(C)C.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-8(2)16-12-9(7-14-3)5-10(13)6-11(12)15-4;/h5-6,8,14H,7H2,1-4H3;1H
InChIKeyPTEQWLGPYFXRPV-UHFFFAOYSA-N
MW280.19 g/mol
LogP3.28
Rot. Bonds5

About 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride

1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride (PubChem CID 2960537) has the molecular formula C12H19Cl2NO2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride
PubChem CID2960537
Molecular FormulaC12H19Cl2NO2
Molecular Weight280.19 g/mol
Exact Mass279.08
IUPAC Name1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)cc(OC)c1OC(C)C.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-8(2)16-12-9(7-14-3)5-10(13)6-11(12)15-4;/h5-6,8,14H,7H2,1-4H3;1H
InChIKeyPTEQWLGPYFXRPV-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride (CID 2960537) is 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride is CNCc1cc(Cl)cc(OC)c1OC(C)C.Cl.
What is the InChIKey of 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride?
The InChIKey is PTEQWLGPYFXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2.ClH/c1-8(2)16-12-9(7-14-3)5-10(13)6-11(12)15-4;/h5-6,8,14H,7H2,1-4H3;1H.
What are the key properties of 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride?
1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride has a molecular weight of 280.19 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 2960537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).