N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine

C18H27NO — CID 116506203

IUPACN-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCOC1
InChIInChI=1S/C18H27NO/c1-2-19-18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3
InChIKeyFPSQEIVMUZJVHG-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 116506203) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
PubChem CID116506203
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCOC1
InChIInChI=1S/C18H27NO/c1-2-19-18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3
InChIKeyFPSQEIVMUZJVHG-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882
N-[(4-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331655
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine (CID 116506203) is N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)C1CCCOC1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is FPSQEIVMUZJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-19-18(17-7-4-12-20-13-17)16-10-8-15(9-11-16)14-5-3-6-14/h8-11,14,17-19H,2-7,12-13H2,1H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 116506203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).