N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine

C15H23NO — CID 115793579

IUPACN-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCOC1C
InChIInChI=1S/C15H23NO/c1-12-14(10-11-17-12)15(16-2)9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZSZREAATAWJSRU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine

N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine (PubChem CID 115793579) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
PubChem CID115793579
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)C1CCOC1C
InChIInChI=1S/C15H23NO/c1-12-14(10-11-17-12)15(16-2)9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyZSZREAATAWJSRU-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyloxolan-3-yl)hexan-1-amine
CID 115837016
3-(1-chloro-2-phenylethyl)-2-methyloxolane
CID 79762751
N-ethyl-1-(3-methyloxolan-2-yl)-3-phenylpropan-1-amine
CID 115794047
N-methyl-1-(2-methyloxolan-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993513
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
4-ethylsulfonyl-N-methyl-1-(2-methyloxolan-3-yl)butan-1-amine
CID 115865167
2-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)ethanamine
CID 105050938
2-(2-chlorophenyl)-N-ethyl-1-(2-methyloxolan-3-yl)ethanamine
CID 79759747
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
4-cyclopropyl-N-methyl-1-phenylpentan-3-amine
CID 115794259
1-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 55128835
[2-(3-chlorophenyl)-1-(2-methyloxolan-3-yl)ethyl]hydrazine
CID 105283424

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine (CID 115793579) is N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine is CNC(CCc1ccccc1)C1CCOC1C.
What is the InChIKey of N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine?
The InChIKey is ZSZREAATAWJSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-14(10-11-17-12)15(16-2)9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine?
N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxolan-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 115793579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).