N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine

C15H23NO — CID 114825057

IUPACN-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1COC(C)C1
InChIInChI=1S/C15H23NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyJBLQIKFXVMTXTO-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds4

About N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine

N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 114825057) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
PubChem CID114825057
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1COC(C)C1
InChIInChI=1S/C15H23NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3
InChIKeyJBLQIKFXVMTXTO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680
N-methyl-1-(5-methyloxolan-3-yl)-1-(4-propylphenyl)methanamine
CID 114825017
(5-methyloxolan-3-yl)-(4-methylphenyl)methanamine
CID 114824909
N-[(2,5-dimethylfuran-3-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825204
N-[(5-methyloxolan-3-yl)-(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 114825144
N-[(1,4-dimethylpyrazol-5-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 112742602
6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 114825073
N-[(3-bromothiophen-2-yl)-(5-methyloxolan-3-yl)methyl]ethanamine
CID 114825345
N-[(5-methyloxolan-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105023309
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
N-[(5-methyloxolan-3-yl)-quinolin-8-ylmethyl]ethanamine
CID 105021388
N-[1-benzothiophen-7-yl-(5-methyloxolan-3-yl)methyl]ethanamine
CID 105022130

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine (CID 114825057) is N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)C1COC(C)C1.
What is the InChIKey of N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is JBLQIKFXVMTXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-16-15(14-9-12(3)17-10-14)13-7-5-11(2)6-8-13/h5-8,12,14-16H,4,9-10H2,1-3H3.
What are the key properties of N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine?
N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114825057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).