1-(oxolan-3-yl)-1-phenylethanamine

C12H17NO — CID 63563026

IUPAC1-(oxolan-3-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)C1CCOC1
InChIInChI=1S/C12H17NO/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyWHIJKTVARMJPQN-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.90
Rot. Bonds2

About 1-(oxolan-3-yl)-1-phenylethanamine

1-(oxolan-3-yl)-1-phenylethanamine (PubChem CID 63563026) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-1-phenylethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-1-phenylethanamine
PubChem CID63563026
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(oxolan-3-yl)-1-phenylethanamine
SMILESCC(N)(c1ccccc1)C1CCOC1
InChIInChI=1S/C12H17NO/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3
InChIKeyWHIJKTVARMJPQN-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminophenyl)-1-(oxolan-3-yl)ethanol
CID 115025222
2-amino-1-(oxolan-3-yl)-2-phenylpropan-1-one
CID 116563869
1-(oxan-3-yl)-1-phenylbutan-1-amine
CID 107135814
1-(2-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563409
1-(3,4-dimethylphenyl)-1-(oxan-4-yl)ethanamine
CID 63937080
1-[4-(aminomethyl)phenyl]-1-(oxolan-3-yl)ethanol
CID 115032739
1-(4-chlorophenyl)-1-(oxolan-3-yl)ethanol
CID 63563407
3-[1-fluoro-1-(oxolan-3-yl)ethyl]benzoic acid
CID 115042481
1-(oxolan-3-yl)-1-phenylpentane-1,5-diol
CID 70310975
N-(2-methyl-2-phenylpropyl)oxolan-3-amine
CID 63335150
1-(3-cyclobutylphenyl)-1-(oxolan-3-yl)ethanol
CID 114601649
3-[1-fluoro-1-(oxan-3-yl)ethyl]aniline
CID 115033997

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-1-phenylethanamine?
The IUPAC name of 1-(oxolan-3-yl)-1-phenylethanamine (CID 63563026) is 1-(oxolan-3-yl)-1-phenylethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-1-phenylethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-1-phenylethanamine is CC(N)(c1ccccc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-1-phenylethanamine?
The InChIKey is WHIJKTVARMJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-6,11H,7-9,13H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-1-phenylethanamine?
1-(oxolan-3-yl)-1-phenylethanamine has a molecular weight of 191.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-1-phenylethanamine is sourced from PubChem (CID 63563026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).