(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine

C15H21NO — CID 114603352

IUPAC(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
SMILESNC(c1ccccc1C1CCC1)C1CCCO1
InChIInChI=1S/C15H21NO/c16-15(14-9-4-10-17-14)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,7-8,11,14-15H,3-6,9-10,16H2
InChIKeyDGNBYMJSONGXJI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.13
Rot. Bonds3

About (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine

(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine (PubChem CID 114603352) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
PubChem CID114603352
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine
SMILESNC(c1ccccc1C1CCC1)C1CCCO1
InChIInChI=1S/C15H21NO/c16-15(14-9-4-10-17-14)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,7-8,11,14-15H,3-6,9-10,16H2
InChIKeyDGNBYMJSONGXJI-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanamine
CID 114603817
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
7-bicyclo[4.1.0]heptanyl-(2-cyclobutylphenyl)methanamine
CID 105052437
(2-cyclobutylphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 114603457
1-(2-cyclobutylphenyl)ethylhydrazine
CID 105201232
(4-methoxynaphthalen-1-yl)-(oxolan-2-yl)methanamine
CID 43150779
(2-cyclobutylphenyl)-(4-methylphenyl)methanamine
CID 114602558
(2-cyclobutylphenyl)-(1-methylcyclopropyl)methanamine
CID 114604111
(2-cyclobutylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 114602556
(2-cyclobutylphenyl)-pyridin-4-ylmethanamine
CID 114602569
(2-cyclobutylphenyl)-(1,3-thiazol-4-yl)methanamine
CID 114604148
(2S)-2-[(1S)-1-phenylethyl]oxolane
CID 118374007

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine?
The IUPAC name of (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine (CID 114603352) is (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine.
What is the SMILES notation for (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine?
The canonical SMILES for (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine is NC(c1ccccc1C1CCC1)C1CCCO1.
What is the InChIKey of (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine?
The InChIKey is DGNBYMJSONGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c16-15(14-9-4-10-17-14)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,7-8,11,14-15H,3-6,9-10,16H2.
What are the key properties of (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine?
(2-cyclobutylphenyl)-(oxolan-2-yl)methanamine has a molecular weight of 231.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(oxolan-2-yl)methanamine is sourced from PubChem (CID 114603352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).