1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine

C14H21NO — CID 115794492

IUPAC1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
SMILESCC1CC(C(N)CCc2ccccc2)CO1
InChIInChI=1S/C14H21NO/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeyQKFNZYJQHKGHNN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.37
Rot. Bonds4

About 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine

1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine (PubChem CID 115794492) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
PubChem CID115794492
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
SMILESCC1CC(C(N)CCc2ccccc2)CO1
InChIInChI=1S/C14H21NO/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeyQKFNZYJQHKGHNN-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-3-phenylpropan-1-amine
CID 63935277
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
1-cycloheptyl-3-phenylpropan-1-amine
CID 65399790
1-(4,4-dimethylcyclohexyl)-3-phenylpropan-1-amine
CID 65391218
2-(2-bromo-3-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105020731
4-[(4-benzylphenyl)-chloromethyl]-2-methyloxolane
CID 114826999
4-methoxy-1-(5-methyloxolan-3-yl)butan-1-amine
CID 105055175
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825906
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
2-(1-ethylindazol-3-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 104999436
1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
CID 115849389

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine (CID 115794492) is 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine is CC1CC(C(N)CCc2ccccc2)CO1.
What is the InChIKey of 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The InChIKey is QKFNZYJQHKGHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-9-13(10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3.
What are the key properties of 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine?
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 115794492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).