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

C14H21NO — CID 79368429

IUPACN-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccccc1C
InChIInChI=1S/C14H21NO/c1-3-15-10-12-8-9-16-14(12)13-7-5-4-6-11(13)2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyHNJMHVWGGZPWHJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds4

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

N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 79368429) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
PubChem CID79368429
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1CCOC1c1ccccc1C
InChIInChI=1S/C14H21NO/c1-3-15-10-12-8-9-16-14(12)13-7-5-4-6-11(13)2/h4-7,12,14-15H,3,8-10H2,1-2H3
InChIKeyHNJMHVWGGZPWHJ-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-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
CID 79365813
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-[[2-(2-ethylphenyl)oxolan-3-yl]methyl]propan-1-amine
CID 79368626
N-[[2-(4-tert-butylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368719
N-[[2-(4-methylsulfanylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368622
N-[[2-(2-methylquinolin-6-yl)oxolan-3-yl]methyl]ethanamine
CID 105379792
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
N-[[2-(3-bromophenyl)oxolan-3-yl]methyl]ethanamine
CID 79368720
3-(chloromethyl)-2-(2-methylphenyl)oxane
CID 79373949
N-[[2-[4-(methoxymethyl)phenyl]oxolan-3-yl]methyl]ethanamine
CID 79368430

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine (CID 79368429) is N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine is CCNCC1CCOC1c1ccccc1C.
What is the InChIKey of N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is HNJMHVWGGZPWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-10-12-8-9-16-14(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-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-(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-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79368429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).