2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine

C15H23NO2 — CID 104676124

IUPAC2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
SMILESCCNC1CC(OCc2ccccc2)C1OCC
InChIInChI=1S/C15H23NO2/c1-3-16-13-10-14(15(13)17-4-2)18-11-12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyQHLRLWHNBXDNIA-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.36
Rot. Bonds7

About 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine

2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine (PubChem CID 104676124) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
PubChem CID104676124
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine
SMILESCCNC1CC(OCc2ccccc2)C1OCC
InChIInChI=1S/C15H23NO2/c1-3-16-13-10-14(15(13)17-4-2)18-11-12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3
InChIKeyQHLRLWHNBXDNIA-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-ethoxy-N-ethyl-3-naphthalen-2-yloxycyclobutan-1-amine
CID 104676053
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104676522
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
3-[(2-bromophenyl)methoxy]-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676666
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine (CID 104676124) is 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine is CCNC1CC(OCc2ccccc2)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine?
The InChIKey is QHLRLWHNBXDNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-13-10-14(15(13)17-4-2)18-11-12-8-6-5-7-9-12/h5-9,13-16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine?
2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-phenylmethoxycyclobutan-1-amine is sourced from PubChem (CID 104676124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).