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

C19H31NO — CID 115842841

IUPAC1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CCC2CCCCO2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)14-17(20)11-12-18-6-4-5-13-21-18/h7-10,17-18H,4-6,11-14,20H2,1-3H3
InChIKeyGLHVQFHYEHHORI-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.20
Rot. Bonds5

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

1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 115842841) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID115842841
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCC(C)(C)c1ccc(CC(N)CCC2CCCCO2)cc1
InChIInChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)14-17(20)11-12-18-6-4-5-13-21-18/h7-10,17-18H,4-6,11-14,20H2,1-3H3
InChIKeyGLHVQFHYEHHORI-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxane
CID 63952188
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
2-[3-bromo-3-(4-tert-butylphenyl)propyl]oxolane
CID 65158117
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine (CID 115842841) is 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine is CC(C)(C)c1ccc(CC(N)CCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is GLHVQFHYEHHORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)16-9-7-15(8-10-16)14-17(20)11-12-18-6-4-5-13-21-18/h7-10,17-18H,4-6,11-14,20H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine?
1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 289.46 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)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 115842841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).