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

C17H27NO2 — CID 105019030

IUPACN-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C17H27NO2/c1-5-18-17(16-10-9-13(4)20-16)14-7-6-8-15(11-14)19-12(2)3/h6-8,11-13,16-18H,5,9-10H2,1-4H3
InChIKeyULILIUUMDAOHKZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

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

N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 105019030) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID105019030
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C17H27NO2/c1-5-18-17(16-10-9-13(4)20-16)14-7-6-8-15(11-14)19-12(2)3/h6-8,11-13,16-18H,5,9-10H2,1-4H3
InChIKeyULILIUUMDAOHKZ-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326497
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748
N-[(5-methyloxolan-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 105027443
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978
N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330130
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
N-ethyl-3-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 104993653

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 105019030) is N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC(C)C)c1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is ULILIUUMDAOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18-17(16-10-9-13(4)20-16)14-7-6-8-15(11-14)19-12(2)3/h6-8,11-13,16-18H,5,9-10H2,1-4H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105019030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).