N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine

C19H23NO — CID 61276508

IUPACN-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2)cc1)C1CCOC1
InChIInChI=1S/C19H23NO/c1-2-20-19(18-12-13-21-14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3
InChIKeyFIQUKLJNNLDACH-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds5

About N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine

N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine (PubChem CID 61276508) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
PubChem CID61276508
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(-c2ccccc2)cc1)C1CCOC1
InChIInChI=1S/C19H23NO/c1-2-20-19(18-12-13-21-14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3
InChIKeyFIQUKLJNNLDACH-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
N-[(3-bromo-4-ethoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 104657640

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine (CID 61276508) is N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine is CCNC(c1ccc(-c2ccccc2)cc1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine?
The InChIKey is FIQUKLJNNLDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-20-19(18-12-13-21-14-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-20H,2,12-14H2,1H3.
What are the key properties of N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine?
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 61276508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).