1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine

C15H23NO — CID 115849389

IUPAC1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
SMILESCC1CCC(C(N)CCCc2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-12-10-11-15(17-12)14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,16H2,1H3
InChIKeyCYOQCHCLGZNQTQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.90
Rot. Bonds5

About 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine

1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine (PubChem CID 115849389) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
PubChem CID115849389
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine
SMILESCC1CCC(C(N)CCCc2ccccc2)O1
InChIInChI=1S/C15H23NO/c1-12-10-11-15(17-12)14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,16H2,1H3
InChIKeyCYOQCHCLGZNQTQ-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(2S,3R)-3-[(1S)-1-amino-4-phenylbutyl]oxiran-2-yl]-4-phenylbutan-1-amine
CID 22867494
1-(5-methyloxolan-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 115856877
1-(3-methylcyclohexyl)-4-phenylbutan-1-amine
CID 55185670
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methyloxolan-2-yl)propan-1-amine
CID 115864482
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
1-phenyloctan-4-amine
CID 79413314
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115841479
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
CID 131219612
(1R)-1,4-diphenylbutan-1-amine
CID 7131342

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine (CID 115849389) is 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine is CC1CCC(C(N)CCCc2ccccc2)O1.
What is the InChIKey of 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine?
The InChIKey is CYOQCHCLGZNQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-10-11-15(17-12)14(16)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11,16H2,1H3.
What are the key properties of 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine?
1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyloxolan-2-yl)-4-phenylbutan-1-amine is sourced from PubChem (CID 115849389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).