3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine

C16H25NO3 — CID 107850234

IUPAC3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2cccc(OC)c2)C1OC
InChIInChI=1S/C16H25NO3/c1-4-20-15-11-14(16(15)19-3)17-9-8-12-6-5-7-13(10-12)18-2/h5-7,10,14-17H,4,8-9,11H2,1-3H3
InChIKeyLKEAWEMLIKMTSX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.02
Rot. Bonds8

About 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine

3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine (PubChem CID 107850234) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
PubChem CID107850234
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NCCc2cccc(OC)c2)C1OC
InChIInChI=1S/C16H25NO3/c1-4-20-15-11-14(16(15)19-3)17-9-8-12-6-5-7-13(10-12)18-2/h5-7,10,14-17H,4,8-9,11H2,1-3H3
InChIKeyLKEAWEMLIKMTSX-UHFFFAOYSA-N
XLogP2.02
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
2-cyclopropyl-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 107852145
2-methoxy-3-[(3-methoxyphenyl)methoxy]cyclobutan-1-amine
CID 113439770
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
1-methoxy-3-propylbenzene
CID 14270128
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine (CID 107850234) is 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(NCCc2cccc(OC)c2)C1OC.
What is the InChIKey of 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is LKEAWEMLIKMTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-20-15-11-14(16(15)19-3)17-9-8-12-6-5-7-13(10-12)18-2/h5-7,10,14-17H,4,8-9,11H2,1-3H3.
What are the key properties of 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 107850234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).