2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C14H21NO — CID 62314981

IUPAC2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cccc(CCNCC2CCOC2)c1
InChIInChI=1S/C14H21NO/c1-12-3-2-4-13(9-12)5-7-15-10-14-6-8-16-11-14/h2-4,9,14-15H,5-8,10-11H2,1H3
InChIKeyIICXEPXNNLMHNN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62314981) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62314981
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1cccc(CCNCC2CCOC2)c1
InChIInChI=1S/C14H21NO/c1-12-3-2-4-13(9-12)5-7-15-10-14-6-8-16-11-14/h2-4,9,14-15H,5-8,10-11H2,1H3
InChIKeyIICXEPXNNLMHNN-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-(3-ethylphenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62597949
3-[(oxolan-3-ylmethylamino)methyl]phenol
CID 60920792
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
CID 146000574
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 62314981) is 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1cccc(CCNCC2CCOC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is IICXEPXNNLMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-3-2-4-13(9-12)5-7-15-10-14-6-8-16-11-14/h2-4,9,14-15H,5-8,10-11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62314981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).