N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine

C14H21NO — CID 63563797

IUPACN-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CCOC1
InChIInChI=1S/C14H21NO/c1-3-15-14(12-8-9-16-10-12)13-7-5-4-6-11(13)2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyRUDVRGSOTACOHF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds4

About N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine

N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 63563797) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID63563797
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1CCOC1
InChIInChI=1S/C14H21NO/c1-3-15-14(12-8-9-16-10-12)13-7-5-4-6-11(13)2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyRUDVRGSOTACOHF-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
N-[(2-fluoro-3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 107137030
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
N-[(4-methoxy-2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276557
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313
N-[(3-chloro-2-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 64713292
N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine (CID 63563797) is N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(c1ccccc1C)C1CCOC1.
What is the InChIKey of N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is RUDVRGSOTACOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-14(12-8-9-16-10-12)13-7-5-4-6-11(13)2/h4-7,12,14-15H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 63563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).