1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine

C17H26ClNO3 — CID 166237260

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine
SMILESCOc1cc(OC)c(C(C)NC(C)C2(OC)CCC2)cc1Cl
InChIInChI=1S/C17H26ClNO3/c1-11(19-12(2)17(22-5)7-6-8-17)13-9-14(18)16(21-4)10-15(13)20-3/h9-12,19H,6-8H2,1-5H3
InChIKeyXUPLAFNBPZHDRO-UHFFFAOYSA-N
MW327.85 g/mol
LogP3.97
Rot. Bonds7

About 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine

1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine (PubChem CID 166237260) has the molecular formula C17H26ClNO3 and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine
PubChem CID166237260
Molecular FormulaC17H26ClNO3
Molecular Weight327.85 g/mol
Exact Mass327.16
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine
SMILESCOc1cc(OC)c(C(C)NC(C)C2(OC)CCC2)cc1Cl
InChIInChI=1S/C17H26ClNO3/c1-11(19-12(2)17(22-5)7-6-8-17)13-9-14(18)16(21-4)10-15(13)20-3/h9-12,19H,6-8H2,1-5H3
InChIKeyXUPLAFNBPZHDRO-UHFFFAOYSA-N
XLogP3.97
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine (CID 166237260) is 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine is COc1cc(OC)c(C(C)NC(C)C2(OC)CCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine?
The InChIKey is XUPLAFNBPZHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO3/c1-11(19-12(2)17(22-5)7-6-8-17)13-9-14(18)16(21-4)10-15(13)20-3/h9-12,19H,6-8H2,1-5H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine?
1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine has a molecular weight of 327.85 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-N-[1-(1-methoxycyclobutyl)ethyl]ethanamine is sourced from PubChem (CID 166237260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).