N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

C18H29NO — CID 105050748

IUPACN-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C18H29NO/c1-5-19-18(17-10-9-14(4)20-17)16-8-6-7-15(12-16)11-13(2)3/h6-8,12-14,17-19H,5,9-11H2,1-4H3
InChIKeyMELMCYQNIAOYPX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.10
Rot. Bonds6

About N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 105050748) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID105050748
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(CC(C)C)c1)C1CCC(C)O1
InChIInChI=1S/C18H29NO/c1-5-19-18(17-10-9-14(4)20-17)16-8-6-7-15(12-16)11-13(2)3/h6-8,12-14,17-19H,5,9-11H2,1-4H3
InChIKeyMELMCYQNIAOYPX-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methyloxolan-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 105019030
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
N-[(3-fluorophenyl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 115791948
N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330130
N-[1,4-dithian-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544805
(3-ethylphenyl)-(5-methyloxolan-2-yl)methanol
CID 82837003
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
N-[[3-(2-methylpropyl)phenyl]-(thiolan-3-yl)methyl]propan-1-amine
CID 105188104
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 105050748) is N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(CC(C)C)c1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is MELMCYQNIAOYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-18(17-10-9-14(4)20-17)16-8-6-7-15(12-16)11-13(2)3/h6-8,12-14,17-19H,5,9-11H2,1-4H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 105050748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).