N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine

C16H25NO — CID 79365813

IUPACN-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1cccc(C)c1C
InChIInChI=1S/C16H25NO/c1-4-17-11-14-8-6-10-18-16(14)15-9-5-7-12(2)13(15)3/h5,7,9,14,16-17H,4,6,8,10-11H2,1-3H3
InChIKeyPFGRJDQVWCJWPQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds4

About N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine

N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine (PubChem CID 79365813) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
PubChem CID79365813
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine
SMILESCCNCC1CCCOC1c1cccc(C)c1C
InChIInChI=1S/C16H25NO/c1-4-17-11-14-8-6-10-18-16(14)15-9-5-7-12(2)13(15)3/h5,7,9,14,16-17H,4,6,8,10-11H2,1-3H3
InChIKeyPFGRJDQVWCJWPQ-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

N-[[2-(2-methylphenyl)oxan-3-yl]methyl]ethanamine
CID 79364725
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-[[2-(2-methylphenyl)oxolan-3-yl]methyl]ethanamine
CID 79368429
N-[[2-(2,4-dimethylphenyl)oxan-3-yl]methyl]propan-1-amine
CID 79365822
N-[[2-(2,3-dichlorophenyl)oxolan-3-yl]methyl]ethanamine
CID 79367958
N-[[2-(2,5-dimethoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79365268
N-[[2-(5-bromo-2-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 79364998
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149
3-(chloromethyl)-2-(2-methylphenyl)oxane
CID 79373949
N-[[2-(2,3-dimethylphenyl)cycloheptyl]methyl]propan-1-amine
CID 81025199
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]oxan-3-yl]methyl]ethanamine
CID 79370705

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine (CID 79365813) is N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine is CCNCC1CCCOC1c1cccc(C)c1C.
What is the InChIKey of N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine?
The InChIKey is PFGRJDQVWCJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-17-11-14-8-6-10-18-16(14)15-9-5-7-12(2)13(15)3/h5,7,9,14,16-17H,4,6,8,10-11H2,1-3H3.
What are the key properties of N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine?
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]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 N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 79365813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).