N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine

C19H31NO — CID 65156184

IUPACN-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H31NO/c1-6-9-20-18(12-17-8-7-10-21-17)19-15(4)13(2)11-14(3)16(19)5/h11,17-18,20H,6-10,12H2,1-5H3
InChIKeyAAAWPBRIBBZHTF-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.53
Rot. Bonds6

About N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine

N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine (PubChem CID 65156184) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine
PubChem CID65156184
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCCO1)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C19H31NO/c1-6-9-20-18(12-17-8-7-10-21-17)19-15(4)13(2)11-14(3)16(19)5/h11,17-18,20H,6-10,12H2,1-5H3
InChIKeyAAAWPBRIBBZHTF-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine 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

1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(4,5-dimethylthiophen-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993486
N-[2-(oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63975942
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
1-(3-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-2-amine
CID 60820403
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(5-methylfuran-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156495
1-(3,5-dichlorophenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993774
3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine (CID 65156184) is N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine is CCCNC(CC1CCCO1)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine?
The InChIKey is AAAWPBRIBBZHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-9-20-18(12-17-8-7-10-21-17)19-15(4)13(2)11-14(3)16(19)5/h11,17-18,20H,6-10,12H2,1-5H3.
What are the key properties of N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine?
N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 65156184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).