1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

C16H25NO — CID 54917016

IUPAC1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)NCCC2CCCO2)c1
InChIInChI=1S/C16H25NO/c1-12-6-7-13(2)16(11-12)14(3)17-9-8-15-5-4-10-18-15/h6-7,11,14-15,17H,4-5,8-10H2,1-3H3
InChIKeyAUOAEJGGAPAKAH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine

1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (PubChem CID 54917016) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
PubChem CID54917016
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
SMILESCc1ccc(C)c(C(C)NCCC2CCCO2)c1
InChIInChI=1S/C16H25NO/c1-12-6-7-13(2)16(11-12)14(3)17-9-8-15-5-4-10-18-15/h6-7,11,14-15,17H,4-5,8-10H2,1-3H3
InChIKeyAUOAEJGGAPAKAH-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
1-(2-bromophenyl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 103983659
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]oxolane
CID 65157773
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 81409134
(1R)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81364895
(1S)-1-(3-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 81365361
5-methyl-2-[1-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]phenol
CID 43205737
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine (CID 54917016) is 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is Cc1ccc(C)c(C(C)NCCC2CCCO2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
The InChIKey is AUOAEJGGAPAKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-7-13(2)16(11-12)14(3)17-9-8-15-5-4-10-18-15/h6-7,11,14-15,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine?
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine is sourced from PubChem (CID 54917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).