N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine

C14H21NO — CID 2959685

IUPACN-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyXBUDNMPAZHJEHW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.52
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 2959685) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID2959685
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCc1ccc(CNCC2CCCO2)cc1
InChIInChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3
InChIKeyXBUDNMPAZHJEHW-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 2959685) is N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine is CCc1ccc(CNCC2CCCO2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XBUDNMPAZHJEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14/h5-8,14-15H,2-4,9-11H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 2959685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).