1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

C16H25NO — CID 113362112

IUPAC1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)CC1CCOC1
InChIInChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)10-16(17-3)9-14-4-5-18-11-14/h6-8,14,16-17H,4-5,9-11H2,1-3H3
InChIKeySWVALQWAPVSNRG-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.86
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine

1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (PubChem CID 113362112) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
PubChem CID113362112
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
SMILESCNC(Cc1cc(C)cc(C)c1)CC1CCOC1
InChIInChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)10-16(17-3)9-14-4-5-18-11-14/h6-8,14,16-17H,4-5,9-11H2,1-3H3
InChIKeySWVALQWAPVSNRG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
2-(3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 63563049
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
1-(3,5-dimethylphenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168260
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
1-(5-ethyl-2-pyridinyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987022
N-methyl-1-(oxolan-3-yl)pent-4-en-2-amine
CID 103986920
N-methyl-1-(oxolan-3-yl)-3-(1-propylimidazol-2-yl)propan-2-amine
CID 113362140

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine (CID 113362112) is 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is CNC(Cc1cc(C)cc(C)c1)CC1CCOC1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
The InChIKey is SWVALQWAPVSNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-6-13(2)8-15(7-12)10-16(17-3)9-14-4-5-18-11-14/h6-8,14,16-17H,4-5,9-11H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine?
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 113362112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).