3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine

C17H27NO3 — CID 103920966

IUPAC3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(OC(C)C)c(OC)c2)C1
InChIInChI=1S/C17H27NO3/c1-5-20-15-9-14(10-15)18-11-13-6-7-16(21-12(2)3)17(8-13)19-4/h6-8,12,14-15,18H,5,9-11H2,1-4H3
InChIKeyHXVAWCOHDQXXRW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds8

About 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine

3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine (PubChem CID 103920966) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
PubChem CID103920966
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(OC(C)C)c(OC)c2)C1
InChIInChI=1S/C17H27NO3/c1-5-20-15-9-14(10-15)18-11-13-6-7-16(21-12(2)3)17(8-13)19-4/h6-8,12,14-15,18H,5,9-11H2,1-4H3
InChIKeyHXVAWCOHDQXXRW-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584619
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 28611814

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine (CID 103920966) is 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2ccc(OC(C)C)c(OC)c2)C1.
What is the InChIKey of 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine?
The InChIKey is HXVAWCOHDQXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-15-9-14(10-15)18-11-13-6-7-16(21-12(2)3)17(8-13)19-4/h6-8,12,14-15,18H,5,9-11H2,1-4H3.
What are the key properties of 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine?
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 103920966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).