N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine

C17H25NO — CID 114603367

IUPACN-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)C1CCOC1
InChIInChI=1S/C17H25NO/c1-2-18-17(14-10-11-19-12-14)16-9-4-3-8-15(16)13-6-5-7-13/h3-4,8-9,13-14,17-18H,2,5-7,10-12H2,1H3
InChIKeyNSBCSINCSHVCPO-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.64
Rot. Bonds5

About N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 114603367) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID114603367
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C1CCC1)C1CCOC1
InChIInChI=1S/C17H25NO/c1-2-18-17(14-10-11-19-12-14)16-9-4-3-8-15(16)13-6-5-7-13/h3-4,8-9,13-14,17-18H,2,5-7,10-12H2,1H3
InChIKeyNSBCSINCSHVCPO-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(2-cyclopropylphenyl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 79978095
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(2,5-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276511
1-(2-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 114602722

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine (CID 114603367) is N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccccc1C1CCC1)C1CCOC1.
What is the InChIKey of N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is NSBCSINCSHVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-18-17(14-10-11-19-12-14)16-9-4-3-8-15(16)13-6-5-7-13/h3-4,8-9,13-14,17-18H,2,5-7,10-12H2,1H3.
What are the key properties of N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 114603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).