N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine

C16H25NO — CID 103917481

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-5-18-16-9-15(10-16)17-13(4)14-7-11(2)6-12(3)8-14/h6-8,13,15-17H,5,9-10H2,1-4H3
InChIKeyLXTUMZMEWFDFCC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine

N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine (PubChem CID 103917481) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
PubChem CID103917481
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H25NO/c1-5-18-16-9-15(10-16)17-13(4)14-7-11(2)6-12(3)8-14/h6-8,13,15-17H,5,9-10H2,1-4H3
InChIKeyLXTUMZMEWFDFCC-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[1-(3-fluoro-4-methylphenyl)ethyl]cyclobutan-1-amine
CID 112553182
3-ethoxy-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 114987233
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]cyclopentanamine
CID 81300917
N-[1-(1-benzofuran-2-yl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112553006
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
CID 112554444
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
N-[1-(2,5-difluorophenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 112554498
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 115903402

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine (CID 103917481) is N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NC(C)c2cc(C)cc(C)c2)C1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is LXTUMZMEWFDFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-18-16-9-15(10-16)17-13(4)14-7-11(2)6-12(3)8-14/h6-8,13,15-17H,5,9-10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine?
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 103917481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).