3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine

C16H25NO — CID 114606219

IUPAC3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ccccc1C1CCC1
InChIInChI=1S/C16H25NO/c1-18-13-12-17-11-5-9-14-6-2-3-10-16(14)15-7-4-8-15/h2-3,6,10,15,17H,4-5,7-9,11-13H2,1H3
InChIKeyYHLQUMZAUDVVAR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.12
Rot. Bonds8

About 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine

3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 114606219) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID114606219
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1ccccc1C1CCC1
InChIInChI=1S/C16H25NO/c1-18-13-12-17-11-5-9-14-6-2-3-10-16(14)15-7-4-8-15/h2-3,6,10,15,17H,4-5,7-9,11-13H2,1H3
InChIKeyYHLQUMZAUDVVAR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 62603094
2-[3-(2-methoxyethylamino)propyl]aniline
CID 107274451
3-(5-cyclobutyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 65184648
1-cyclohexyl-2-heptylbenzene
CID 154399814
1-(2-bromoethyl)-2-cyclobutylbenzene
CID 114605787
3-(3,4-dihydro-2H-chromen-8-yl)-N-(2-methoxyethyl)propan-1-amine
CID 114746898
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034765
N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034764
2-(2-ethylphenyl)-N-(2-methoxyethyl)ethanamine
CID 64868119
1-cyclopropyl-2-hexylbenzene
CID 172995295
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)butan-1-amine
CID 62566151

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine (CID 114606219) is 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1ccccc1C1CCC1.
What is the InChIKey of 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is YHLQUMZAUDVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-18-13-12-17-11-5-9-14-6-2-3-10-16(14)15-7-4-8-15/h2-3,6,10,15,17H,4-5,7-9,11-13H2,1H3.
What are the key properties of 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine?
3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 114606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).