1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

C15H23NO — CID 60920008

IUPAC1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCOC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-4-5-15(12(2)8-11)13(3)16-9-14-6-7-17-10-14/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3
InChIKeyDAYJUOGFRHHYQB-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60920008) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60920008
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCC2CCOC2)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-4-5-15(12(2)8-11)13(3)16-9-14-6-7-17-10-14/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3
InChIKeyDAYJUOGFRHHYQB-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
N-(oxolan-3-ylmethyl)-1-(2,3,4-trichlorophenyl)ethanamine
CID 54931945
1-(4-bromo-2-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 82773424
2-[1-(oxolan-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 54931891
2,4-dimethyl-N-(oxolan-3-ylmethyl)aniline
CID 43189804
5-methoxy-2-[1-(oxolan-3-ylmethylamino)ethyl]phenol
CID 54931708
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
CID 62065092
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 60920008) is 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1ccc(C(C)NCC2CCOC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is DAYJUOGFRHHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-5-15(12(2)8-11)13(3)16-9-14-6-7-17-10-14/h4-5,8,13-14,16H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60920008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).