N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine

C16H25NO — CID 114105327

IUPACN-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
SMILESCCC1OCCC1CNCc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-4-16-14(8-9-18-16)10-17-11-15-12(2)6-5-7-13(15)3/h5-7,14,16-17H,4,8-11H2,1-3H3
InChIKeyOCZRQJSROHCLGK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds5

About N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine

N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine (PubChem CID 114105327) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
PubChem CID114105327
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
SMILESCCC1OCCC1CNCc1c(C)cccc1C
InChIInChI=1S/C16H25NO/c1-4-16-14(8-9-18-16)10-17-11-15-12(2)6-5-7-13(15)3/h5-7,14,16-17H,4,8-11H2,1-3H3
InChIKeyOCZRQJSROHCLGK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105210
N-[(2,6-dimethylphenyl)methyl]-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 113349759
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine
CID 114105088
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 114106528
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
N-[(2-benzyloxolan-3-yl)methyl]ethanamine
CID 79368716
N'-[(2-ethyloxolan-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313171
1-(2-ethyloxolan-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 114105058
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640
4-[[(2-ethyloxolan-3-yl)methylamino]methyl]pyrimidine-5-carboxylic acid
CID 114106521
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-ethyloxolan-3-yl)methanamine
CID 114105593

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine (CID 114105327) is N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine is CCC1OCCC1CNCc1c(C)cccc1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine?
The InChIKey is OCZRQJSROHCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16-14(8-9-18-16)10-17-11-15-12(2)6-5-7-13(15)3/h5-7,14,16-17H,4,8-11H2,1-3H3.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine?
N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-1-(2-ethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114105327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).