3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine

C15H23NO — CID 113365044

IUPAC3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-4-17-14-9-13(10-14)16-12(3)15-8-6-5-7-11(15)2/h5-8,12-14,16H,4,9-10H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyAUSXVIJVZNZJQU-HSBZDZAISA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds5

About 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine

3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (PubChem CID 113365044) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
PubChem CID113365044
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccccc2C)C1
InChIInChI=1S/C15H23NO/c1-4-17-14-9-13(10-14)16-12(3)15-8-6-5-7-11(15)2/h5-8,12-14,16H,4,9-10H2,1-3H3/t12-,13?,14?/m0/s1
InChIKeyAUSXVIJVZNZJQU-HSBZDZAISA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
N-[(1S)-1-(2-methylphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 81375684
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
3-ethoxy-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 112553069
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
3-(4-methylphenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 81363104
N-[(1R)-1-(2-methylphenyl)ethyl]oxetan-3-amine
CID 81373882
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine (CID 113365044) is 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is CCOC1CC(N[C@@H](C)c2ccccc2C)C1.
What is the InChIKey of 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
The InChIKey is AUSXVIJVZNZJQU-HSBZDZAISA-N. The full InChI is InChI=1S/C15H23NO/c1-4-17-14-9-13(10-14)16-12(3)15-8-6-5-7-11(15)2/h5-8,12-14,16H,4,9-10H2,1-3H3/t12-,13?,14?/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine?
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 113365044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).