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

C16H20ClNO — CID 106691777

IUPAC2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2ccoc2Cl)cc1
InChIInChI=1S/C16H20ClNO/c1-16(2,3)12-6-4-11(5-7-12)10-14(18)13-8-9-19-15(13)17/h4-9,14H,10,18H2,1-3H3
InChIKeyUVGDBDJRERXJSB-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.47
Rot. Bonds3

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

2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine (PubChem CID 106691777) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
PubChem CID106691777
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2ccoc2Cl)cc1
InChIInChI=1S/C16H20ClNO/c1-16(2,3)12-6-4-11(5-7-12)10-14(18)13-8-9-19-15(13)17/h4-9,14H,10,18H2,1-3H3
InChIKeyUVGDBDJRERXJSB-UHFFFAOYSA-N
XLogP4.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 115842871
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
1-(2-chlorofuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 106687760
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
1-(2-chlorofuran-3-yl)-2-ethoxyethanamine
CID 106692544
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842835
2-(4-tert-butylphenyl)-1-(2,5-dibromophenyl)ethanamine
CID 115842956
(3S)-3-amino-3-(2-chlorofuran-3-yl)propanenitrile
CID 130713756

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine (CID 106691777) is 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine is CC(C)(C)c1ccc(CC(N)c2ccoc2Cl)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine?
The InChIKey is UVGDBDJRERXJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-16(2,3)12-6-4-11(5-7-12)10-14(18)13-8-9-19-15(13)17/h4-9,14H,10,18H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine?
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine has a molecular weight of 277.80 g/mol, XLogP of 4.47, 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-(2-chlorofuran-3-yl)ethanamine is sourced from PubChem (CID 106691777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).