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

C17H27NO — CID 103987411

IUPACN-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-4-8-18-17(11-15-7-9-19-12-15)16-10-13(2)5-6-14(16)3/h5-6,10,15,17-18H,4,7-9,11-12H2,1-3H3
InChIKeyICUUPJQEUGWGRF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds6

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

N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 103987411) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID103987411
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cc(C)ccc1C
InChIInChI=1S/C17H27NO/c1-4-8-18-17(11-15-7-9-19-12-15)16-10-13(2)5-6-14(16)3/h5-6,10,15,17-18H,4,7-9,11-12H2,1-3H3
InChIKeyICUUPJQEUGWGRF-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362110
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103433867
N-[1-(5-bromo-2-fluorophenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987477
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 106654323
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 103987411) is N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1cc(C)ccc1C.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is ICUUPJQEUGWGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-8-18-17(11-15-7-9-19-12-15)16-10-13(2)5-6-14(16)3/h5-6,10,15,17-18H,4,7-9,11-12H2,1-3H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103987411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).