1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine

C18H29NO — CID 104993395

IUPAC1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCCC2CCCO2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-11-9-14(10-12-15)17(19)8-4-6-16-7-5-13-20-16/h9-12,16-17H,4-8,13,19H2,1-3H3
InChIKeyIWOTZCUSQZUBGI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine

1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 104993395) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID104993395
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCC(C)(C)c1ccc(C(N)CCCC2CCCO2)cc1
InChIInChI=1S/C18H29NO/c1-18(2,3)15-11-9-14(10-12-15)17(19)8-4-6-16-7-5-13-20-16/h9-12,16-17H,4-8,13,19H2,1-3H3
InChIKeyIWOTZCUSQZUBGI-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(4-tert-butylphenyl)-2-(oxolan-2-ylmethoxy)ethanamine
CID 43184181
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxolane
CID 65158117
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxane
CID 63952188
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 104993395) is 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine is CC(C)(C)c1ccc(C(N)CCCC2CCCO2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is IWOTZCUSQZUBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)15-11-9-14(10-12-15)17(19)8-4-6-16-7-5-13-20-16/h9-12,16-17H,4-8,13,19H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine?
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.33, 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)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104993395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).