1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine

C16H25NO — CID 62385424

IUPAC1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCC2CCOCC2)c1
InChIInChI=1S/C16H25NO/c1-12-4-5-13(2)16(10-12)14(3)17-11-15-6-8-18-9-7-15/h4-5,10,14-15,17H,6-9,11H2,1-3H3
InChIKeyRUCHFYQKUCRJHR-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine

1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 62385424) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
PubChem CID62385424
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCC2CCOCC2)c1
InChIInChI=1S/C16H25NO/c1-12-4-5-13(2)16(10-12)14(3)17-11-15-6-8-18-9-7-15/h4-5,10,14-15,17H,6-9,11H2,1-3H3
InChIKeyRUCHFYQKUCRJHR-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60920008
1-(2,5-dimethylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131699
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
1-(2,5-dimethylthiophen-3-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386041
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]oxan-4-ol
CID 81131119
1-(2,5-dimethylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80600271
2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 115641493
1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine (CID 62385424) is 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine is Cc1ccc(C)c(C(C)NCC2CCOCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is RUCHFYQKUCRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-4-5-13(2)16(10-12)14(3)17-11-15-6-8-18-9-7-15/h4-5,10,14-15,17H,6-9,11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine?
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.38, 4 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-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 62385424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).