3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine

C14H21NO — CID 114987233

IUPAC3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-3-16-14-9-13(10-14)15-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyKZXZIDOYANFCOP-XGNXJENSSA-N
MW219.33 g/mol
LogP2.90
Rot. Bonds5

About 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine

3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine (PubChem CID 114987233) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
PubChem CID114987233
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
SMILESCCOC1CC(N[C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-3-16-14-9-13(10-14)15-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyKZXZIDOYANFCOP-XGNXJENSSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclobutan-1-amine
CID 115903398
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402
3-ethoxy-N-[1-(furan-2-yl)propan-2-yl]cyclobutan-1-amine
CID 112553035
N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
CID 114118763

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine (CID 114987233) is 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine is CCOC1CC(N[C@@H](C)c2ccccc2)C1.
What is the InChIKey of 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
The InChIKey is KZXZIDOYANFCOP-XGNXJENSSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-14-9-13(10-14)15-11(2)12-7-5-4-6-8-12/h4-8,11,13-15H,3,9-10H2,1-2H3/t11-,13?,14?/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine?
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.90, 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-phenylethyl]cyclobutan-1-amine is sourced from PubChem (CID 114987233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).