1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

C16H25NO — CID 55085081

IUPAC1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C16H25NO/c1-11-7-12(2)16(13(3)8-11)10-14(17)9-15-5-4-6-18-15/h7-8,14-15H,4-6,9-10,17H2,1-3H3
InChIKeyDVPBTTKBNNJEAM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.05
Rot. Bonds4

About 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine

1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 55085081) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID55085081
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(CC(N)CC2CCCO2)c(C)c1
InChIInChI=1S/C16H25NO/c1-11-7-12(2)16(13(3)8-11)10-14(17)9-15-5-4-6-18-15/h7-8,14-15H,4-6,9-10,17H2,1-3H3
InChIKeyDVPBTTKBNNJEAM-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-(4-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-2-amine
CID 114347642
1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
CID 65157706
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propan-2-amine
CID 62600088
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 55085081) is 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is Cc1cc(C)c(CC(N)CC2CCCO2)c(C)c1.
What is the InChIKey of 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is DVPBTTKBNNJEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-12(2)16(13(3)8-11)10-14(17)9-15-5-4-6-18-15/h7-8,14-15H,4-6,9-10,17H2,1-3H3.
What are the key properties of 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine?
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 55085081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).