2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine

C17H27NO — CID 65331958

IUPAC2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)C2CCCOC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16H,4-5,10-12,18H2,1-3H3
InChIKeyMFVONCMNCXZNIW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine

2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine (PubChem CID 65331958) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
PubChem CID65331958
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)C2CCCOC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16H,4-5,10-12,18H2,1-3H3
InChIKeyMFVONCMNCXZNIW-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine 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-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(4-tert-butylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 104748475
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
1-(oxan-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 55132371
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65332288
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine (CID 65331958) is 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine is CC(C)(C)c1ccc(CC(N)C2CCCOC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine?
The InChIKey is MFVONCMNCXZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-8-6-13(7-9-15)11-16(18)14-5-4-10-19-12-14/h6-9,14,16H,4-5,10-12,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine?
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 65331958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).