N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine

C18H29NO2 — CID 105018423

IUPACN-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C1COC(C)C1
InChIInChI=1S/C18H29NO2/c1-5-10-19-18(15-11-14(4)20-12-15)16-8-6-7-9-17(16)21-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3
InChIKeyKLSPOKDVLLHQPC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.94
Rot. Bonds7

About N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine

N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 105018423) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID105018423
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OC(C)C)C1COC(C)C1
InChIInChI=1S/C18H29NO2/c1-5-10-19-18(15-11-14(4)20-12-15)16-8-6-7-9-17(16)21-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3
InChIKeyKLSPOKDVLLHQPC-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825145
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823707
N-[(3-bromo-2-fluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 106648226
N-[(2,5-dibromo-4-methylphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825362
N-[(2-chloro-4-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114825161
N-[(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105025194
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[2,3-dihydrofuran-5-yl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 102653179
N-[(3,5-difluorophenyl)-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851784
2,2-dimethyl-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 105018405

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine (CID 105018423) is N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine is CCCNC(c1ccccc1OC(C)C)C1COC(C)C1.
What is the InChIKey of N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is KLSPOKDVLLHQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-10-19-18(15-11-14(4)20-12-15)16-8-6-7-9-17(16)21-13(2)3/h6-9,13-15,18-19H,5,10-12H2,1-4H3.
What are the key properties of N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-3-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105018423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).