N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine

C16H25NO3 — CID 115903402

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H25NO3/c1-5-20-14-8-12(9-14)17-11(2)15-7-6-13(18-3)10-16(15)19-4/h6-7,10-12,14,17H,5,8-9H2,1-4H3
InChIKeyHGLCAFUMYARVMY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.92
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine (PubChem CID 115903402) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
PubChem CID115903402
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccc(OC)cc2OC)C1
InChIInChI=1S/C16H25NO3/c1-5-20-14-8-12(9-14)17-11(2)15-7-6-13(18-3)10-16(15)19-4/h6-7,10-12,14,17H,5,8-9H2,1-4H3
InChIKeyHGLCAFUMYARVMY-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,4-dimethoxyphenyl)ethyl]thiolan-3-amine
CID 43674270
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
N-[1-(2,4-dimethoxyphenyl)ethyl]azepan-4-amine
CID 103981019
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64920557
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 75427981
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64762397
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine (CID 115903402) is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(C)c2ccc(OC)cc2OC)C1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is HGLCAFUMYARVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-20-14-8-12(9-14)17-11(2)15-7-6-13(18-3)10-16(15)19-4/h6-7,10-12,14,17H,5,8-9H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 115903402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).