1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine

C18H29NO — CID 62550488

IUPAC1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-5-19-17(13-16-7-6-12-20-16)14-8-10-15(11-9-14)18(2,3)4/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyCCLYSTAWLZJMLP-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine

1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 62550488) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID62550488
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29NO/c1-5-19-17(13-16-7-6-12-20-16)14-8-10-15(11-9-14)18(2,3)4/h8-11,16-17,19H,5-7,12-13H2,1-4H3
InChIKeyCCLYSTAWLZJMLP-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(4-cyclopropyloxyphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 114519253
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
N-ethyl-1-(4-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167283
N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 65156028
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
N-ethyl-1-(5-ethylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156100
1-[4-(2-methylbutan-2-yl)phenyl]-2-(oxolan-2-yl)ethanol
CID 66259192
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxolane
CID 65158117
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 62550488) is 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is CCLYSTAWLZJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(13-16-7-6-12-20-16)14-8-10-15(11-9-14)18(2,3)4/h8-11,16-17,19H,5-7,12-13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62550488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).